Structure Search

Learn how to search patents using chemical structures in just a few minutes. This video walks you through the process of building a structure query in Patsnap Chemical. By the end, you'll know how to build accurate structure searches and confidently launch your query to uncover critical insights.

• In Chemical, click the sidebar.
  
  Navigate to Structure Search.
  
  This opens a blank canvas where you can build or import a query structure.
• You can create a query structure in several ways:
  
  Draw it manually on the canvas.
  
  Import a file containing a structure.
  
  Paste a SMILES string into the import area.
  
  Upload an image of a structure using the camera icon.
  
  Search by name or identifier and insert a known compound.
• Use the drawing tools to add or modify:
  
  Single bonds
  
  Double bonds
  
  Triple bonds
  
  Stereochemistry
  
  If needed, clear the canvas and start over before adding a new structure.
• If you are starting from a scaffold and want variable substituents:
  
  Attach the R-group at the correct site on the scaffold.
  
  Choose the element or chemical group you want to vary.
  
  Use the R-group attachment tool to connect the variable group to the R-group position.
  
  You can keep the R-group fully variable or define it more specifically, such as by selecting a group like a halogen.
• On the right-hand side, choose which fields to search within.
  
  Common options include:
  
  Title
  
  Abstract
  
  Claims
  
  You can keep the search broad or narrow it to specific sections.
• Choose the type of structure search you want to run:
  
  Exact search
  
  Similarity search
  
  Substructure search
  
  Superstructure search
  
  Formulation search
  
  Use the info button if you need help understanding how each search type works.
  
  Key reminder:
  
  Substructure search returns results that are contained within your query compound.
  
  Superstructure search returns results that contain your query compound.
• Use the preferences panel to refine the search.
  
  You can set:
  
  Molecular weight restrictions
  
  Vague bond matching
  
  Stereochemistry handling
  
  Whether to allow free radicals
  
  These settings help make the search more precise.
• Once the structure and preferences are ready, click Search Structures.
  
  The system will run the query using the structure and filters you selected.