⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16281742 | 0.94 | KDM4A (0.32) | — | |
| SCHEMBL18774335 | 0.89 | KDM4A (0.35) | — | |
| SCHEMBL16281753 | 0.81 | — | — | |
| SCHEMBL13875519 | 0.80 | KDM4A (0.30) | — | |
| SCHEMBL13695043 | 0.76 | PTGS2 (0.36) | — | |
| SCHEMBL19649248 | 0.74 | — | — | |
| SCHEMBL10104208 | 0.74 | KDM4A (0.47) | — | |
| SCHEMBL13875544 | 0.74 | HDAC3 (0.30) | — | |
| SCHEMBL13799703 | 0.73 | — | — | |
| SCHEMBL10104225 | 0.73 | KDM4A (0.47) | — |
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 |