⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5044179 | 0.81 | — | — | |
| SCHEMBL5040063 | 0.67 | — | — | |
| SCHEMBL14752116 | 0.63 | NR1I3 (0.30) | — | |
| SCHEMBL14006980 | 0.63 | PRKD3 (0.32) | — | |
| SCHEMBL5044861 | 0.62 | — | — | |
| SCHEMBL5040269 | 0.60 | — | — | |
| SCHEMBL5047794 | 0.59 | — | — | |
| SCHEMBL15367589 | 0.58 | — | — | |
| SCHEMBL5045804 | 0.58 | — | — | |
| SCHEMBL7011742 | 0.57 | ADORA3 (0.46) | — |
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 |