⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13875544 | 0.95 | HDAC3 (0.30) | — | |
| SCHEMBL19649076 | 0.93 | HDAC3 (0.33) | — | |
| SCHEMBL19649248 | 0.92 | — | — | |
| SCHEMBL13695043 | 0.90 | PTGS2 (0.36) | — | |
| SCHEMBL3823383 | 0.86 | WDR91 (0.35) | — | |
| SCHEMBL3823380 | 0.86 | WDR91 (0.35) | — | |
| SCHEMBL19903986 | 0.85 | PHGDH (0.30) | — | |
| Hydrochloric Acid SCHEMBL3386424 | 0.85 | WDR91 (0.34) | — | |
| SCHEMBL18774335 | 0.82 | KDM4A (0.35) | — | |
| SCHEMBL19649072 | 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 4 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 |
| EP-2677995-B1 | COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT | L'ORÉAL (FR) | 2017-04-26 | — | — | EP | disclosed |
| EP-2070988-A2 | Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye | L'Oréal (FR) | 2009-06-17 | — | — | EP | disclosed |