⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5045826 | 0.73 | — | — | |
| SCHEMBL2054430 | 0.73 | — | — | |
| SCHEMBL14639027 | 0.72 | HDAC1 (0.34) | — | |
| SCHEMBL268708 | 0.72 | HCAR2 (0.38) | — | |
| SCHEMBL15481130 | 0.70 | HDAC1 (0.43) | — | |
| SCHEMBL13676589 | 0.68 | TNKS (0.32) | — | |
| SCHEMBL14639026 | 0.68 | HDAC1 (0.34) | — | |
| SCHEMBL3722925 | 0.67 | HDAC1 (0.39) | — | |
| SCHEMBL3085667 | 0.63 | FLT3 (0.38) | — | |
| SCHEMBL9488964 | 0.63 | DYRK1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1744720-B1 | KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds | PROCTER & GAMBLE (US) | 2008-11-26 | — | — | EP | claimed |
| US-7229480-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-06-12 | — | — | US | claimed |
| US-20050188476-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-01 | — | — | US | claimed |
| EP-1744720-B1 | KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds | PROCTER & GAMBLE (US) | 2008-11-26 | — | — | EP | disclosed |
| US-7229480-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| EP-1744720-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-01-24 | — | — | EP | disclosed |
| US-20050188476-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-01 | — | — | US | disclosed |
| WO-2005079735-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-09-01 | — | — | WO | disclosed |