⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16070309 | 0.92 | — | — | |
| SCHEMBL16070320 | 0.74 | ADRA2A (0.33) | — | |
| SCHEMBL18774205 | 0.74 | — | — | |
| SCHEMBL6861015 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL12531421 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL10104459 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL10104464 | 0.66 | ADRA2A (0.33) | — | |
| SCHEMBL16070567 | 0.64 | NPC1 (0.30) | — | |
| SCHEMBL16104225 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL10104003 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2018847-B1 | Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. | ORÉAL L (FR) | 2014-09-17 | — | — | EP | disclosed |