⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5036296 | 0.61 | — | — | |
| SCHEMBL4418715 | 0.59 | PTK2 (0.32) | — | |
| SCHEMBL5039756 | 0.58 | DAO (0.33) | — | |
| SCHEMBL5039732 | 0.57 | LMNA (0.35) | — | |
| SCHEMBL5036639 | 0.54 | PKM (0.35) | — | |
| SCHEMBL5040111 | 0.54 | CA2 (0.35) | — | |
| SCHEMBL8629117 | 0.52 | ALDH1A1 (0.44) | — | |
| SCHEMBL5039572 | 0.52 | ALDH1A1 (0.34) | — | |
| SCHEMBL5036565 | 0.51 | ALDH1A1 (0.42) | — | |
| SCHEMBL3873419 | 0.50 | CA12 (0.34) | — |
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-1715840-B1 | KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES | PROCTER & GAMBLE (US) | 2008-12-03 | — | — | EP | claimed |
| EP-1715840-B1 | KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES | PROCTER & GAMBLE (US) | 2008-12-03 | — | — | EP | disclosed |
| US-7303590-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-12-04 | — | — | US | disclosed |
| US-20050193502-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER, GAMBLE COMPANY, THE | 2005-09-08 | — | — | US | disclosed |