Skip over navigation
COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICO LIBRARIES
Definition statement
This subclass/group covers:

Methods of making libraries, e.g. combinatorial synthesis;

In silico or virtual conception of libraries; in silico or virtual libraries;

Chemical or biological libraries and modifications thereof, i.e. chemically, biologically or physically modified, e.g. proteins, DNAs, antibodies, specific chemicals;

Methods of screening libraries or subsets thereof for a desired activity or property, e.g. binding ability;

Methods specially adapted for identifying the exact nature, e.g. chemical structure of a particular library member;

Apparatus specially adapted for use in combinatorial chemistry or library technology to identify library members, to screen libraries or to synthesize libraries; integrated apparatus specially adapted for performing any combination of these three tasks;

Tags or linkers specially adapted for use in combinatorial chemistry or library technology;

Other process or products specially adapted for combinatorial chemistry or libraries.

Relationship between large subject matter areas

Individual library members must be classified in the appropriate places elsewhere in CPC, e.g. in Section C, according to established procedure, e.g. last place rule priority. Subject matter that has a wider utility and may also be used outside combinatorial chemistry, e.g. solid supports and linkers of general utility in solid phase synthesis, general reagents, is classified in the appropriate places elsewhere in CPC, e.g. Section C.

Methods or apparatus covered by this subclass are also classified for their biological, chemical, physical or other features in the appropriate places in ECLA, if such features are of interest, e.g.

Biocides A01N

Preparations for medical, dental or toilet purposes A61K

Therapeutic activity of compounds A61P

Separation B01D

Chemical or physical processes, e.g. catalysis; Apparatus therefor B01J

Chemical or physical laboratory apparatus B01L

Shaped plastics B29

Inorganic, organic or organic macromolecular compounds; Methods of preparation or separation thereof C01, C07, C08

Biochemistry, microbiology, enzymology including microorganisms or enzymes, preparing them, using them to synthesize compounds or compositions; Measuring or testing processes involving microorganisms or enzymes; Mutation or genetic engineering C12

Metal alloys C22

Chemical or physical analysis G01N

Physical measurements methods; Apparatus therefore G01R, G01T

Photomechanical methods G03F

Electrical digital data processing G06F

Data processing G06K

Image data processing G06T

Displaying; Advertising G09F

Special rules of classification within this subclass

In this subclass, at each level of indentation, in the absence of an indication to the contrary, classification is made in the first appropriate place.

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere (see "Relationship between large subject matter areas" of this subclass and "References relevant to classification in this subclass" of the main groups)

C12N 15/1034 - C12N 15/1093 always take precedence over C40B.

C40B is rarely used for search and classification as C40B is inconsistent in most areas to which it relates i.e. G01N, C12N, B01J and C07. If C40B is used at all, it is used primarily as an indexing code to identify that there is some combinatorial chemistry aspect present in a document and there will always be further symbols from G01N, C12N, B01J and C07 present. There is, however, an exception in the field of Bio/Chemoinformatics (G06F). Here, in order to avoid double classification, the subgroups C40B 30/02 and C40B 50/02 are used regularly.

Glossary of terms
In this subclass/group, the following terms (or expressions) are used with the meaning indicated:
Array
Set of compounds maintained in a specified spatial distribution e.g. in the wells of a 96-well plate, in pins held in a rack or at the tip of optical fibers arranged in a bunch.
Biochemical method
Process involving the use of microorganisms, enzymes, vectors or antibodies, any biomoleculat processes in vivo or in vitro.
Chemical Evolution Process
Process using in vitro selection systems that evolve to enrich mixtures of chemical compounds in those components having selected properties. The terminology "directed molecular evolution" is commonly employed when the process is applied to mixtures of macromolecules (e.g. RNA aptamers). Selected compounds are then amplified ("copied") using biochemical methods (e.g. enzymatic reverse transcription of RNA aptamers to DNA, PCR amplification and finally retranscription to RNA); This concept has been adapted to organic chemistry and opened a new branch of combinatorial chemistry named "dynamic combinatorial chemistry" wherein the enrichment in the (usually low-molecular weight) compounds having a selected property results from the equilibration process that carries out a preferential destruction and recycling of unselected compounds.
Coding/encoding
Strategy whereby a surrogate analyte is associated with each member of a library in order to record its structure and/or the reaction sequence used for its preparation. This is usually achieved by the use of tags/labels attached to the particles of solid support on which the library members are assembled.
Combinatorial library
A set of organic or inorganic compounds, plasmids, micro-organisms ,vectors or biopolymers, e.g. polynucleotides, proteins (a library) prepared by combinatorial synthesis. May consist of a collection of pools or sub-libraries.The sets can be in the form of arrays or mixtures.
Combinatorial synthesis
Combinatorial synthesis is the preparation of sets of diverse entities by the combination of sets of chemical building blocks and monomers, e.g. reagents.
Contained in
A library contained in a microorganism, a cell or a vector is a library the members of which are present in the respective biochemical, e.g. in a plasmid.
Decoding
Method enabling the determination of the structure of a library member and/or the reaction sequence leading to its preparation, consisting in "reading" (e.g. determining the structure of) a surrogate analyte (code, tag, label) associated with said library-member.
Deconvolution
Process consisting of fractionating (normally by resynthesis, or by elaborating a partial library) a pool with some level of the desired activity to give a set of smaller pools. See also iterative deconvolution.
Directed Molecular Evolution
Directed Molecular Evolution is a process for enriching a library in members having a property or activity of interest. It involves cycles of taking a library, subjecting it to a screen to select for the desired property or activity, amplifying the "hits" to provide the starting library for the subsequent cycle."Mutations" may be introduced at the amplification stage in order to increase the diversity of the library. This subject matter involves aspects of creating and screening libraries.
Displayed by
A library displayed by a microorganism is a library present at the surface of such a microorganism, e.g. of a bacteria. See for example Nature Biotechnology (1997), 15, pages 29-34: "Display of heterologous proteins on the surface of microorganisms: from the screening of combinatorial libraries to live recombinant vaccines".
Dynamic Library
Collection of compounds (in solution) in dynamic equilibrium (i.e. constantly changing). If the composition of the library is altered by the presence of a target which selectively binds certain library members, then shifting of the equilibrium will lead to an increase in the amount of those components which bind to the target with relatively high affinity. A dynamic library contains all the potentially possible combinations of the components undergoing dynamic random connection, whether these combinations are or are not actually present in the conditions used. It is a virtual library. A real entity is generated in the presence of the target.
Fluorous Synthesis
Approach for solution phase synthesis which takes advantage of the ability of highly fluorinated groups to partition out of aqueous and most organic solutions into a third phase consisting in a fluorinated solvent. The fluorinated side chain can act as a soluble support for synthesis.
Identifying
Determining the exact nature, e.g. chemical structure or sequence listing, of a particular library member or of a particular subset of library members.
In silico library
A library which has no physical existence, being constructed solely in electronic form or on paper. It is one type of virtual library. The building blocks required for such a library may not exist, and the chemical steps for creating such a library may not have been tested. These libraries are used in the design and evaluation of possible libraries.
"Integrated" apparatus
Apparatus specifically designed for performing at least two different operations, e.g. synthesis and screening.
Iterative deconvolution
Method for the identification of active library members consisting in repeating the deconvolution strategy a certain number of times. Usually the initial library is divided into non-overlapping subsets. The subsets are tested (screened) separately, and the one with the greatest activity is identified. This subset is re-synthesized as a collection of simpler subsets which are tested for activity. The process is repeated until a unique library-member with (ideally) a high level of activity is identified.
Library
A library is a created collection of a plurality of compounds, microorganisms or other substances, all being of the same type . The collection is useful as a test vehicle for determining which of its members or its subsets of members possess activities or properties of interest. A library might for example exist as: -a solution -a physical admixture -an ordered or unordered array-a plurality of members present on a support and affixed thereto, e.g. by chemical bonding, by physical attractive forces or by coating.
Liquid-phase synthesis
In the context of C40B, this wording covers both solution phase syntheses (i.e. reactions involving only one liquid phase) as well as syntheses in multiple liquid phase systems (i.e. involving more than one liquid phase). The latter concern for instance syntheses performed on a liquid macromolecular compound such as PEG (polyethylene glycol), on dendrimers, or wherein a fluorocarbon phase is present in the system (fluorous synthesis).
Microorganisms
Bacteria, actinomycetales, fungi (e.g. yeast), virus, human, animal, or plant cells, tissues, protozoa or unicellular algae.
Particular attachment method
Specific method of attachment focusing on the way molecules are bound to the solid or liquid support, e.g. by means of electrostatic interactions, formation of covalent bonds by cycloaddition reactions or by irradiation.
Resin capture
Method consisting in contacting the reaction medium with a solid support after a reaction performed in solution, in order to attach the reaction product to the resin and thus collect it easily.
Safety-Catch Linker
A linker which is cleaved by performing two different reactions instead of only one, thus providing greater control over the timing of compound release. In practice, the resin is "activated" before the actual cleavage takes place (e.g. cleavage by nucleophilic displacement of a previously alkylated sulfonamide resin).
Screening
Determining whether a library contains a member or members which have a particular property or activity of interest.
Solid-phase synthesis
Synthetic process wherein the reactions are performed on a solid support, usually in the presence of a solvent, i.e. wherein one or more library building blocks are bound to a solid support (e.g. polymer, resin, glass beads) during library creation.
Solid support
Insoluble, functionalized or not, material , e.g. polymers, glass to which library members or other reagents may be attached (often via a linker) allowing library members to be readily separated (by filtration, centrifugation, etc.) from excess reagents, soluble reaction by-products or solvents.
Solution-phase synthesis
Synthesis performed in solution, i.e. wherein the reactants and reagents are all soluble in the reaction medium (irrespective of the fact that, for instance, a supported catalyst is used during the reaction). It is also called "synthesis in solution".
Traceless Linker
Linker which does not leave any residue on the cleaved compound, i.e. which is replaced by a hydrogen atom.
Virtual library
A library which has no physical existence. This terminology encompasses two different types of libraries: in silico libraries and dynamic libraries.
Directed molecular evolution of macromolecules, e.g. RNA, DNA or proteins
Special rules of classification within this group

Classification in C12N 15/1058 takes precedence over classification in C40B 10/00

Methods specially adapted for identifying library members
Definition statement
This subclass/group covers:

Methods specially adapted for identifying library members.

Relationship between large subject matter areas

The methods classified here must also be classified in the appropriate places elsewhere in CPC for relevant aspects:

Chemical or physical laboratory apparatus: B01L

Chemical or physical analysis: G01N

Physical measurements methods; Apparatus therefore G01R, G01T

Informative references
Attention is drawn to the following places, which may be of interest for search:
General synthesis of combinatorial arrays
Isolating an individual clone by screening libraries
Means for coding or tagging apparatus or reagents
B01J 2219/0054 and lower subgroups
Spatial configuration of library members on arrays
B01J 2219/00603 and lower subgroups
Special rules of classification within this group

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere (see "Relationship between large subject matter areas" of this subclass and "References relevant to classification in this subclass" of the main groups)

C12N 15/1034 always takes precedence over C40B 20/00

Methods of screening libraries
Definition statement
This subclass/group covers:

Methods for determining whether a library contains a member or members which have a particular property or activity of interest.

Relationship between large subject matter areas

The methods classified here must also be classified in the appropriate places elsewhere in the IPC for relevant aspects:

Chemical or physical laboratory apparatus: B01L

Chemical or physical analysis: G01N

Measuring or testing processes involving enzymes, nucleic acids or micro-organisms: C12Q

Physical measurements methods; Apparatus therefore G01R, G01T

Informative references
Attention is drawn to the following places, which may be of interest for search:
General synthesis of combinatorial arrays
Isolating and individual clone by screening libraries
Screening libraries presented on the surface of microorganism
Methods of protein analysis involving mass spectrometry
Proteomic analysis of sub-sets of protein mixtures
Screening of catalysts is often also classified in
Means for coding or tagging apparatus or reagents
Spatial configuration of library members on arrays
Chemical aspects of mass spectrometric analysis of biological material
Special rules of classification within this group

When classifying in this group, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere

This is particularly applicable to sub-group C40B 30/04 where classification is almost always possible and essential in one or more places in the range G01N 33/53-G01N 33/98.

Similarly for sub-group C40B 30/06 classification is also required in one or more places in the range G01N 33/5008-G01N 33/5088 or C12Q 1/025.

C12N 15/1034 always take precedence over C40B 30/00

In silico screening
Definition statement
This subclass/group covers:

Data processing methods or systems for screening any type of virtual combinatorial chemical library, e.g. combinatorial libraries of biomolecules, biopolymers, small organic molecules.

Informative references
Attention is drawn to the following places, which may be of interest for search:
Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation or storage of physicochemical or structural data of chemical compounds
Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
Special rules of classification within this group

The places under the section Informative references should be considered for circulation at the classification stage.

Synonyms and Keywords

In patent documents the word "systems” is often used with the meaning "apparatuses"

by measuring effects on living organism, tissues or cells
Definition statement
This subclass/group covers:

Screening libraries for compounds with a biological activiy, e.g. for drug discovery purposes. The screening is achieved by measuring the effect of the library members on living organisms or parts thereof. A typical example is the testing effect of library members on tumour cell growth for anti-cancer drug development.

by measuring catalytic activity
Definition statement
This subclass/group covers:

Screening libraries for compounds including enzymes with catalytic activity

Libraries per se, e.g. arrays, mixtures
Definition statement
This subclass/group covers:

Sets of organic or inorganic compounds, plasmids, micro-organisms, vectors, biopolymers or biomolecules, prepared by combinatorial synthesis.

The sets can be in the form of arrays or mixtures.

Relationship between large subject matter areas

The libraries classified here must also be classified in the appropriate places elsewhere in CPC:

Plasmids, micro-organisms or vectors: Classifying in C12N 15/1037 takes precedence over the classification in C40B 40/02

Organic compounds not covered by the sub-groups C40B 40/06 - C40B 40/16C07C or C07D

Nucleotides, polynucleotides, RNA or DNA: C12N 15/1034 - C12N 15/1093 always take precedence over C40B 40/06 and C40B 40/08.

Peptides or polypeptides: C07K 1/047 (peptide libraries)

Saccharides: C07H

Polysaccharides: C08B

Macromolecular compounds not covered by the groups C40B 40/06 to C40B 40/12:C08F (polymers)

Metal-containing organic compounds: C07F, B01J (catalysts)

Inorganic compounds or materials: C07F, B01J (catalysts)

Compounds attached to a solid support must also be given the Indexing Code M07M11/00

References relevant to classification in this group
This subclass/group does not cover:
Supported catalysts used in combinatorial synthesis if the catalyst itself is not considered a combinatorial library
Isolating an individual clone by screening libraries
Screening libraries presented on the surface of microorganisms
Informative references
Attention is drawn to the following places, which may be of interest for search:
Simultaneous synthesis of different peptide species; Peptide libraries:
Special rules of classification within this group

C12N 15/1034 - C12N 15/1093 always take precedence over C40B 40/06 and C40B 40/08.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere

Classification is made in the first appropriate place, e.g. libraries containing organic and inorganic compounds are classified in C40B 40/04

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Methods of creating libraries, e.g. combinatorial synthesis
Definition statement
This subclass/group covers:

Methods specially adapted for creating libraries, e.g. split-pool synthesis, solid phase synthesis, creating gradient libraries.

Informative references
Attention is drawn to the following places, which may be of interest for search:
General methods for combinatorial chemistry or making combinatorial arrays
Special rules of classification within this group

Classification in C12N 15/1093 takes precedence over classification in C40B 50/00

In silico or mathematical conception of libraries
Definition statement
This subclass/group covers:

Data processing methods or systems for creating any type of virtual combinatorial chemical library, e.g. combinatorial libraries of biomolecules, biopolymers, small organic molecules.

Informative references
Attention is drawn to the following places, which may be of interest for search:
Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation or storage of physicochemical or structural data of chemical compounds
Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
Special rules of classification within this group

See corresponding header in C40B 50/00

Synonyms and Keywords

In patent documents the word "systems” is often used with the meaning "apparatuses"

using dynamic combinatorial chemistry techniques
Definition statement
This subclass/group covers:

Methods specially adapted for creating library members using dynamic combinatorial chemistry techniques (DCC). Dynamic combinatorial chemistry is a reversible assembly process, its constituents being molecular or supramolecular. The library is produced from a set of reversibly-interchangeable components (collection of compounds).

Special rules of classification within this group

See corresponding header in C40B 50/00

Biochemical methods, e.g. using enzymes or whole viable micro-organisms
Definition statement
This subclass/group covers:

Methods specially adapted for synthesizing library members using biochemical methods, e.g. using enzymes or whole viable microorganisms

Special rules of classification within this group

See corresponding header in C40B 50/00

Liquid phase synthesis, i.e. wherein all library building blocks are in liquid phase or in solution during library creation; Particular methods of cleavage from the liquid support
Definition statement
This subclass/group covers:

Liquid phase synthesis, i.e. wherein all library building blocks are in liquid phase or in solution during library creation; Particular methods of cleavage from the liquid support.

Special rules of classification within this group

See corresponding header in C40B 50/00

Solid phase synthesis, i.e. wherein one or more library building blocks are bound to a solid support during library creation; Particular methods of cleavage from the solid support
Definition statement
This subclass/group covers:

Solid phase synthesis, i.e. wherein one or more library building blocks are bound to a solid support during library creation; Particular methods of cleavage from the solid support

Special rules of classification within this group

See corresponding header in C40B 50/00

Apparatus specially adapted for use in combinatorial chemistry or with libraries
Definition statement
This subclass/group covers:

Apparatus specially adapted for use in combinatorial chemistry or with libraries.

Such apparatus may deal with synthesis, screening, identification of library members, or a combination of these functions.

Relationship between large subject matter areas

The apparatuses classified here must also be classified in the appropriate places elsewhere in CPC:

Apparatus for chemical or physical processes: B01J

Chemical or physical laboratory apparatus: B01L

Apparatus for screening, sampling or analysis: G01N

Physical measurements methods; Apparatus therefore: G01R, G01T

References relevant to classification in this group
This subclass/group does not cover:

Examples of places where the subject matter of this group is covered when specially adapted, used for a particular purpose, or incorporated in a larger system:

Apparatus for combinatorial synthesis
Special features of apparatus for combinatorial synthesis
B01J 2219/00274 and lower groups
Special rules of classification within this group

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere

The first-place rule is applied

Apparatus classified in C40B 60/02, C40B 60/06, C40B 60/08 or C40B 60/14 should receive classification for additional information in B01J 2219/00274 and lower subgroups.

Tags or labels specially adapted for combinatorial chemistry or libraries, e.g. fluorescent tags or bar codes
Definition statement
This subclass/group covers:

Tags or labels specially adapted for combinatorial chemistry or libraries, e.g. fluorescent tags or bar codes.

Relationship between large subject matter areas

The tags/labels classified here must also be classified in the appropriate places elsewhere in CPC:

Tags/labels should be also classified in the appropriate class in CPC, according to established procedure, e.g. organic compounds are also classified in the appropriate place in section C.

Production of labelled immunochemical (including materials having complementary binding properties) test materials, G01N 33/532 or subgroups.

Use of labelled substances in immunoassays (including complementary binding assays), G01N 33/58 or subgroups.

Tags or labels attached to a solid support must also be given the symbol M07M11/00.

References relevant to classification in this group
This subclass/group does not cover:
Tags or labels which are not specially adapted/used in combinatorial chemistry
appropriate class elsewhere in CPC, e.g. section C
Informative references
Attention is drawn to the following places, which may be of interest for search:
Analysing compounds using physical methods, e.g. spectroscopy
Special rules of classification within this group

The last-place rule applies.

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere

C12N 15/1065 takes precedence over classification in C40B 70/00

Synonyms and Keywords

In patent documents the following abbreviations are often used:

RF tag
radio frequency tag
Linkers or spacers specially adapted for combinatorial chemistry or libraries, e.g. traceless linkers or safety-catch linkers
Definition statement
This subclass/group covers:

Linkers or spacers specially adapted for combinatorial chemistry or libraries, e.g. traceless linkers, photolabile linkers , safety-catch linkers or cleavable linkers.

Linkers or spacers attached to a solid support are also classified here.

Linkers or spacers attached to a solid support must also be given the symbol M07M11/00.

Relationship between large subject matter areas

Linker or spacer molecules classified here must also be classified in the appropriate places elsewhere in CPC, e.g. in section C. linkers and spacers attached to a solid support are classified according to the classification of the linker or spacer, the solid support is disregarded for the purpose of classification.

References relevant to classification in this group
This subclass/group does not cover:

Examples of places where the subject matter of this group is covered when specially adapted, used for a particular purpose, or incorporated in a larger system:

Linking groups for attachment of ligands to carriers for use in immunoassays (including complementary binding assays)
The manner of attachment to the support and the nature of the support
Special rules of classification within this group

The last-place rule applies.

When classifying in this subclass, additional classifications are made for subject matter which is considered invention information or is considered of interest for search purposes.

Please note that it is of vital importance to the completeness of other places of classification that documents are not only classified in C40B, but wherever possible also elsewhere

For the main group C40B 80/00 classification is often also required in the subgroup G01N 33/54353

Glossary of terms
In this subclass/group, the following terms (or expressions) are used with the meaning indicated:
Linker: a bi-, or multifunctional molecule, which can be bound to the carrier linker
or multifunctional molecule, which can be bound to the carrier phase and offers a binding site for the coupling of desired molecules so that chemical reactions can be carried out.
Spacer
Molecule which is located between the carrier and the linker.
See also glossary at subclass level
Subject matter not provided for in other groups of this subclass
Definition statement
This subclass/group covers:

Subject matter not provided for in other groups of this subclass

References relevant to classification in this group
This subclass/group does not cover:
All other (sub-)groups in C40B
Special rules of classification within this group

This group is preferably not used.

Since this group is normally not used in search, other classes must be assigned to documents classified in this group.

This page is owned by Office of Patent Classification.
Last Modified: 10/11/2013