⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19649238 | 0.93 | — | — | |
| SCHEMBL19903986 | 0.91 | PHGDH (0.30) | — | |
| SCHEMBL13327502 | 0.88 | PHGDH (0.34) | — | |
| SCHEMBL19649074 | 0.86 | ACACB (0.35) | — | |
| SCHEMBL21005460 | 0.85 | PHGDH (0.33) | — | |
| SCHEMBL19649009 | 0.83 | — | — | |
| SCHEMBL19649354 | 0.82 | CHRM2 (0.31) | — | |
| SCHEMBL13799703 | 0.82 | — | — | |
| SCHEMBL13327519 | 0.80 | PHGDH (0.35) | — | |
| SCHEMBL18774305 | 0.80 | — | — |
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-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 |