⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4956055 | 0.94 | — | — | |
| SCHEMBL4954428 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL4956348 | 0.87 | ACHE (0.33) | — | |
| SCHEMBL4951558 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL4951821 | 0.78 | ROCK1 (0.36) | — | |
| SCHEMBL4959823 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL4955241 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL4956201 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL4949646 | 0.76 | CDC7 (0.36) | — | |
| SCHEMBL4954410 | 0.74 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060042026-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-02 | — | — | US | claimed |
| EP-1781379-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006026495-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |