⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1637727 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL211577 | 0.67 | — | — | |
| SCHEMBL721212 | 0.65 | — | — | |
| SCHEMBL1416848 | 0.65 | — | — | |
| SCHEMBL1126273 | 0.64 | — | — | |
| SCHEMBL6506243 | 0.64 | — | — | |
| SCHEMBL27478693 | 0.64 | — | — | |
| SCHEMBL297286 | 0.64 | — | — | |
| SCHEMBL12004795 | 0.62 | — | — | |
| SCHEMBL12004796 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1514535-B1 | Hair dye composition comprising a direct dye | KAO CORP (JP) | 2007-02-21 | — | — | EP | disclosed |
| EP-1142558-B1 | Hair dye composition comprising a direct dye | KAO CORP (JP) | 2006-11-02 | — | — | EP | disclosed |
| EP-1514535-A1 | Hair dye composition comprising a direct dye | Kao Corporation (JP) | 2005-03-16 | — | — | EP | disclosed |
| US-6605125-B2 | Stability; discoloration inhibition | KAO CORPORATION (JP) | 2003-08-12 | — | — | US | disclosed |
| US-20010044976-A1 | Hair dye composition | KAO CORPORATION (JP) | 2001-11-29 | — | — | US | disclosed |
| EP-1142558-A2 | Hair dye composition comprising a direct dye | Kao Corporation (JP) | 2001-10-10 | — | — | EP | disclosed |