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Structure Search

Structure search and drawing powered by ChemAxon

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Structure Search Types:

Substructure: Looks for structures that contain the query structure.
Similarity: Looks for structures that are similar to the query structure. Two thresholds, or measures of similarity, are available. The higher the threshold the closer the result structures are to the input structure.
Full Structure: Looks for structures that are the same as the query structure by taking into account special molecular properties. This can return multiple results.
Duplicate: Looks for structures that are identical to the query structure.

Search fields:

Select a specific field of a document to search for structures, or search all by default.

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Structures: Results are returned as a list of structures that match the search.
Patents containing structures: Results are returned as a list of patents that contain the structures that match the search.

NAMED SEARCH

Name: valium, diazepam, 439-14-5
SMILES: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12
InChI: InChI=1S/At2/c1-2
InChI Key: AAOVKJBEBIDNHE-UHFFFAOYSA-N

Patent Field:

SURECHEM PRO ONLY

KEYWORD SEARCH

Patent Field:

Chemical Name

This lets users perform a structure search for a named compound without having to draw the structure. For example, a 'Chemical Name' search for 'valium' launches a search that returns patents containing 'valium', 'diazpeman', '439-14-5', '1-methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one' and any other synonyms that SureChem has mapped to that structure.

SMILES

'SMILES' are text strings that describe the structure of a molecule. SMILES strings can be used in SureChem to launch a full structure, duplicate, similarity or substructure search. You can enter a SMILES string into the 'Named Search' text box or paste it into the MarvinSketch drawing tool using the 'Edit'->'Paste' command. For more info on SMILES: www.daylight.com/smiles

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BOOLEAN:

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What is a Chemical Name search or a SMILES search?

Chemical Name
This lets users perform a structure search for a named compound without having to draw the structure. For example, a 'Chemical Name' search for 'valium' launches a search that returns patents containing 'valium', 'diazpeman', '439-14-5' , '1-methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one' and any other synonyms that SureChem has mapped to that structure.

SMILES
'SMILES' are text strings that describe the structure of a molecule. SMILES strings can be used in SureChem to launch a full structure, duplicate, similarity or substructure search. You can enter a SMILES string into the 'Named Search' text box or paste it into the MarvinSketch drawing tool using the 'Edit'->'Paste' command. For more info on SMILES: www.daylight.com/smiles

SURECHEM PRO ONLY

COMPLEX:

Searches take the form CODE:query, e.g. TTL:apple

Brackets and boolean operators can be used to construct complex queries, e.g.
TTL:apple AND (ABST:banana OR ABST:orange) NOT ABST:pear

Selecting a single database will give access to field codes specific to that database. Common search codes can be searched across all databases.

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PATENT NUMBERS:

Enter one or a series of patent IDs.

SureChem is designed to handle a variety of different patent number formats from issuing authorities and proprietary vendors.

Structure Search

SURECHEM PRO ONLY

SURECHEM PRO ONLY

SURECHEM PRO ONLY

SURECHEM PRO ONLY

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