⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5174359 | 0.47 | — | — | |
| SCHEMBL28291528 | 0.47 | TDP1 (0.48) | — | |
| Trimethylammonium SCHEMBL10350684 | 0.46 | MAPT (0.67) | — | |
| SCHEMBL17265771 | 0.45 | ALDH1A1 (0.52) | — | |
| Trimethylammonium SCHEMBL27849651 | 0.44 | MAPT (0.61) | — | |
| Methylamine SCHEMBL28176622 | 0.44 | ALDH1A1 (0.57) | — | |
| SCHEMBL28124184 | 0.43 | TDP1 (0.58) | — | |
| Methyl Alcohol SCHEMBL29286780 | 0.42 | ALDH1A1 (0.53) | — | |
| Trimethylammonium SCHEMBL28572865 | 0.42 | ALDH1A1 (0.53) | — | |
| SCHEMBL33318 | 0.40 | — | — |
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-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-20060042024-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | NOXELL CORPORATION | 2006-03-02 | — | — | US | disclosed |