⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4908761 | 0.63 | — | — | |
| SCHEMBL4954361 | 0.63 | EP300 (0.38) | — | |
| SCHEMBL4954007 | 0.63 | IDO1 (0.38) | — | |
| SCHEMBL4952945 | 0.59 | ALDH1A1 (0.37) | — | |
| SCHEMBL4955608 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL4951595 | 0.56 | PRKCI (0.37) | — | |
| SCHEMBL5174452 | 0.54 | — | — | |
| SCHEMBL1065338 | 0.52 | FGFR1 (0.35) | — | |
| SCHEMBL4951865 | 0.52 | ACHE (0.40) | — | |
| SCHEMBL4951851 | 0.51 | CDC7 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276089-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-10-02 | — | — | US | disclosed |
| US-20060042025-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | NOXELL CORPORATION | 2006-03-02 | — | — | US | disclosed |