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Compound Search

Search the Derwent Chemistry Resource database for compound structures. All successful searches are added to the Search History table.

You can use the following Boolean Operators in all text fields: AND, OR, NOT.

There are three ways you can search for patent records related to compounds:

• Enter search queries in the text fields.

• Create a chemical structure in the Structure Details box.

• Combine a text field search with a chemical structure search.

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Text Field Search

1. Enter your search terms in one or more search fields.

• Compound Name
• Substance Descriptors
• Structure Description
• Standardized Molecular Formula
• Molecular Formula
• Molecular Weight
• Derwent Chemistry Resource Number

2. Click the Search button to go to the Compound Results page.

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Structure Details Search

1. Select one of the following structure search modes. The default value is Substructure.

• Substructure
• Current Molecule Type
• Similarity

2. Create a chemical structure image in the Elemental drawing tool.

3. Right-click on your chemical structure to display an atom/bond contextual menu in which you can modify Atom Properties or Bond Properties.

4. The contextual menu also lets you copy, cut, or duplicate a chemical structure.

5. Select the appropriate options to apply to your chemical structure.

6. Click the Search button to go to the Compound Results page.

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Structure Details and Text Field Search

1. Click the AND option to the right of the "Combine structure and text" label.

2. Follow the instructions in the Text Field Search Help topic for entering search terms in the fields.

3. Follow the instruction in the Structure Details Search Help topic for creating a chemical structure.

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Structure Detail Options

Substructure

This option finds molecule records that contain the chemical structure drawn as a substructure within a larger structure.

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Current Molecular Type

Exact: Finds compounds that match the chemical structure exactly.

Isomer: Finds compounds that are geometric isomers and stereoisomers of the drawn chemical structure

Tautomer: Finds compounds that are tautomers of the drawn chemical structure

Relaxed Match: Derwent-invented term that is defined as a flexmatch search with no parameters set. In the same way that an isomer search is an exact match that ignores stereochemistry, the relaxed search is an exact match that ignores stereochemistry, hydrogen count, tautomerism, extra salt fragments, isotopes, etc. (that is, the loosest possible current molecule search).

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Similarity

A measure of how closely retrieved molecules resemble the drawn chemical structure. The degree of similarity can be defined by selecting values between 0 and 100. The higher the value, the more similarity. Default values are Min 80 and Max 100.

You can also specify that the retrieved records contain the same structural complexity as the drawn structure (Normal), more complexity than the drawn structure (Sub), or less complexity than the drawn structure (Super).