⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5495341 | 0.79 | — | — | |
| SCHEMBL5495404 | 0.64 | GAA (0.32) | — | |
| SCHEMBL1155489 | 0.57 | SRC (0.44) | — | |
| SCHEMBL5489904 | 0.57 | — | — | |
| SCHEMBL8525654 | 0.57 | — | — | |
| SCHEMBL19666972 | 0.55 | IDO1 (0.36) | — | |
| SCHEMBL5495770 | 0.54 | CHEK1 (0.31) | — | |
| SCHEMBL5485189 | 0.53 | — | — | |
| SCHEMBL5494160 | 0.53 | TGFBR1 (0.33) | — | |
| SCHEMBL5489446 | 0.53 | MAPT (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7306631-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-12-11 | — | — | US | disclosed |
| EP-1732509-A1 | KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION | The Procter and Gamble Company (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097052-A1 | KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION | THE PROCTER & GAMBLE COMPANY (US) | 2005-10-20 | — | — | WO | disclosed |
| US-20050229333-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-10-20 | — | — | US | disclosed |