⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16104214 | 0.87 | — | — | |
| SCHEMBL10104056 | 0.80 | ESR1 (0.36) | — | |
| SCHEMBL16104208 | 0.73 | — | — | |
| SCHEMBL10104062 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL10104060 | 0.69 | ESR1 (0.38) | — | |
| SCHEMBL12657464 | 0.68 | ESR1 (0.41) | — | |
| SCHEMBL16070533 | 0.68 | — | — | |
| SCHEMBL10104068 | 0.65 | KDM4A (0.38) | — | |
| SCHEMBL16070393 | 0.64 | — | — | |
| SCHEMBL16070274 | 0.64 | — | — |
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 |