⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13799703 | 0.92 | — | — | |
| SCHEMBL13875544 | 0.92 | HDAC3 (0.30) | — | |
| SCHEMBL13695043 | 0.91 | PTGS2 (0.36) | — | |
| SCHEMBL19649076 | 0.89 | HDAC3 (0.33) | — | |
| SCHEMBL19649009 | 0.84 | — | — | |
| SCHEMBL13327503 | 0.84 | HDAC3 (0.31) | — | |
| SCHEMBL18774335 | 0.84 | KDM4A (0.35) | — | |
| SCHEMBL21005635 | 0.82 | MMP2 (0.30) | — | |
| SCHEMBL18774339 | 0.82 | MMP2 (0.30) | — | |
| SCHEMBL16281753 | 0.82 | — | — |
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-2651374-B1 | PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR | L'ORÉAL (FR) | 2018-02-28 | — | — | EP | disclosed |
| EP-2677996-B1 | COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT | L'ORÉAL (FR) | 2017-11-29 | — | — | EP | disclosed |