⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5484775 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8978003 | 0.70 | INMT (0.32) | — | |
| SCHEMBL9300341 | 0.69 | HTR6 (0.30) | — | |
| SCHEMBL5494101 | 0.68 | MAP4K4 (0.32) | — | |
| SCHEMBL5486294 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL9274020 | 0.67 | — | — | |
| SCHEMBL5491622 | 0.67 | — | — | |
| SCHEMBL9298666 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL29493474 | 0.64 | SCN5A (0.33) | — | |
| SCHEMBL10430082 | 0.63 | NOTUM (0.47) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7288123-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-10-30 | — | — | US | claimed |
| US-20060042024-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | NOXELL CORPORATION | 2006-03-02 | — | — | US | claimed |
| US-7288123-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288123-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288123-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| EP-1781237-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006026432-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |
| US-20060042024-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | NOXELL CORPORATION | 2006-03-02 | — | — | US | disclosed |