Chemical Structure Similarity Search

Quickly search for similar chemical structures to enhance your research and development

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Upload Structure File
Upload MOL, SDF or other molecule files
✏️
Draw Structure
Use the molecule editor to draw your query structure
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SMILES Input
Search using SMILES string notation
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Click or drag file here to upload

Supported formats: MOL, SDF, SMI

Example: Aspirin CC(=O)OC1=CC=CC=C1C(=O)O

Fingerprint Type
FP4
OpenBabel FP4 fingerprint (SMARTS pattern-based)
FP3
OpenBabel FP3 fingerprint (functional groups)
FP2
OpenBabel FP2 fingerprint (functional groups)
Similarity Threshold
70%
Maximum Results
50
Similarity Algorithm