Structure Search
Search molecules by structural similarity (Tanimoto) or substructure matching.
Query
Example Queries
| Molecule | Mode |
|---|---|
| Aspirin | Similarity ≥ 0.7 | Substructure |
| Benzene ring | Substructure |
| Imatinib | Similarity ≥ 0.6 |
| Sulfonamide group | Substructure |
| Piperazine | Similarity ≥ 0.5 | Substructure |
Tips
- Similarity: Returns molecules with Tanimoto similarity ≥ threshold. Uses Morgan fingerprints (radius=2, 2048-bit).
- Substructure: Returns molecules containing the query as a substructure. Supports SMARTS patterns.
- Results are limited to top 200 matches.
- Draw or paste any SMILES string — the preview updates automatically.