⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5894811 | 0.84 | — | — | |
| SCHEMBL5800131 | 0.72 | TNF (0.34) | — | |
| SCHEMBL5894779 | 0.71 | GAA (0.31) | — | |
| SCHEMBL5894548 | 0.66 | CA12 (0.31) | — | |
| SCHEMBL2986767 | 0.65 | CYP19A1 (0.33) | — | |
| SCHEMBL2989390 | 0.65 | PRKCZ (0.35) | — | |
| SCHEMBL5894701 | 0.64 | MAP4K4 (0.33) | — | |
| SCHEMBL8403315 | 0.64 | RPS6KA5 (0.31) | — | |
| SCHEMBL5894589 | 0.63 | — | — | |
| SCHEMBL5894654 | 0.61 | ATM (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060156485-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2006-07-20 | — | — | US | disclosed |