⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5490354 | 0.69 | NUDT1 (0.31) | — | |
| SCHEMBL5491753 | 0.69 | — | — | |
| SCHEMBL5485242 | 0.69 | — | — | |
| SCHEMBL5490388 | 0.68 | — | — | |
| SCHEMBL5484432 | 0.66 | ADORA2A (0.30) | — | |
| SCHEMBL5493531 | 0.60 | — | — | |
| SCHEMBL5485151 | 0.60 | — | — | |
| SCHEMBL5489001 | 0.60 | ADORA2A (0.30) | — | |
| SCHEMBL5494788 | 0.59 | ADORA2A (0.31) | — | |
| SCHEMBL5490178 | 0.59 | — | — |
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 |