⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7627037 | 0.85 | TSHR (0.44) | — | |
| SCHEMBL4168577 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL3071953 | 0.74 | — | — | |
| SCHEMBL17102794 | 0.74 | — | — | |
| SCHEMBL11190632 | 0.74 | — | — | |
| SCHEMBL515199 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL237795 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL14040102 | 0.72 | — | — | |
| SCHEMBL1029224 | 0.72 | TSHR (0.72) | — | |
| SCHEMBL28016875 | 0.72 | LMNA (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1067900-A1 | PACKAGED HAIR COLOURING COMPOSITION | North Carolina State University (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051195-A1 | PACKAGED HAIR COLOURING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |