⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8019737 | 0.77 | ESR1 (0.36) | — | |
| SCHEMBL9876093 | 0.76 | — | — | |
| SCHEMBL10726749 | 0.74 | — | — | |
| SCHEMBL565453 | 0.68 | — | — | |
| SCHEMBL8437908 | 0.65 | — | — | |
| SCHEMBL19183339 | 0.65 | — | — | |
| SCHEMBL6389264 | 0.57 | — | — | |
| SCHEMBL17815478 | 0.57 | — | — | |
| SCHEMBL3657494 | 0.57 | — | — | |
| SCHEMBL3657492 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316500-B1 | FOR USE IN FOOD, BEVERAGE, COSMETIC, AGRICHEMICAL AND TOPICALLY APPLIED PHARMACEUTICAL FORMULATION FOR PREVENTING MICROORGANISM OR FUNGUS GROWTH | ISP INVESTMENTS INC. | 2001-11-13 | — | — | US | disclosed |