⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4908021 | 0.71 | — | — | |
| SCHEMBL31090042 | 0.69 | — | — | |
| SCHEMBL5490092 | 0.69 | — | — | |
| SCHEMBL5490354 | 0.66 | NUDT1 (0.31) | — | |
| SCHEMBL5497287 | 0.66 | — | — | |
| SCHEMBL2342091 | 0.64 | ADORA2A (0.60) | — | |
| SCHEMBL4949159 | 0.62 | NUDT1 (0.32) | — | |
| SCHEMBL4951557 | 0.61 | HSP90AA1 (0.33) | — | |
| SCHEMBL5488490 | 0.61 | — | — | |
| SCHEMBL8525654 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7399317-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2008-07-15 | — | — | US | claimed |
| US-20070050922-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY | 2007-03-08 | — | — | US | claimed |
| CN-106892871-A | One class 4,5- disubstituted imidazole derivatives and its production and use | 中国科学院上海药物研究所 | 2017-06-27 | — | — | CN | disclosed |
| US-7399317-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2008-07-15 | — | — | US | disclosed |
| US-20080092306-A1 | Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof | GLENN ROBERT W JR | 2008-04-24 | — | — | US | disclosed |
| US-20070050922-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY | 2007-03-08 | — | — | US | disclosed |