⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4265547 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL3480692 | 0.69 | — | — | |
| SCHEMBL15102901 | 0.56 | HMBS (0.48) | — | |
| SCHEMBL17178680 | 0.56 | — | — | |
| Trimethylammonium SCHEMBL10350684 | 0.53 | MAPT (0.67) | — | |
| SCHEMBL28242256 | 0.53 | HRH3 (0.45) | — | |
| Aniline SCHEMBL7406312 | 0.52 | TSHR (0.69) | — | |
| SCHEMBL8468934 | 0.52 | ALDH1A1 (1.00) | — | |
| SCHEMBL15246 | 0.52 | ALDH1A1 (1.00) | — | |
| Trimethylammonium SCHEMBL27849651 | 0.51 | MAPT (0.61) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | claimed |
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | disclosed |
| EP-1737417-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-01-03 | — | — | EP | disclosed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | disclosed |
| WO-2005074875-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-18 | — | — | WO | disclosed |