⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4667610 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL15205708 | 0.69 | — | — | |
| SCHEMBL18249761 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL26767542 | 0.67 | — | — | |
| SCHEMBL4149724 | 0.66 | — | — | |
| SCHEMBL6825608 | 0.65 | ESR1 (0.31) | — | |
| SCHEMBL5585369 | 0.65 | — | — | |
| SCHEMBL6758073 | 0.65 | — | — | |
| SCHEMBL6758324 | 0.65 | — | — | |
| SCHEMBL9925984 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1512391-B1 | COSMETIC HAIR PREPARATION | KAO CORP (JP) | 2011-11-02 | — | — | EP | disclosed |
| US-7964179-B2 | Cosmetic hair preparation | KAO CORPORATION (JP) | 2011-06-21 | — | — | US | disclosed |
| US-20050255074-A1 | Cosmetic hair preparation | KAO CORPORATION (JP) | 2005-11-17 | — | — | US | disclosed |
| EP-1512391-A1 | COSMETIC HAIR PREPARATION | Kao Corporation (JP) | 2005-03-09 | — | — | EP | disclosed |