⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6495099 | 0.79 | — | — | |
| SCHEMBL6482426 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL6493443 | 0.77 | CYP1A2 (0.36) | — | |
| SCHEMBL6482480 | 0.76 | AHR (0.32) | — | |
| SCHEMBL443013 | 0.76 | — | — | |
| SCHEMBL6482455 | 0.75 | — | — | |
| SCHEMBL6482189 | 0.75 | MAPT (0.40) | — | |
| SCHEMBL27708882 | 0.74 | — | — | |
| SCHEMBL2936407 | 0.74 | — | — | |
| SCHEMBL2462284 | 0.73 | — | — |
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-6540793-B1 | Coupler for use in oxidative hair dyeing | CLAIROL INCORPORATED | 2003-04-01 | — | — | US | disclosed |