⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16281753 | 0.88 | — | — | |
| SCHEMBL18774335 | 0.76 | KDM4A (0.35) | — | |
| SCHEMBL13799735 | 0.74 | — | — | |
| SCHEMBL19003857 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL16281742 | 0.73 | KDM4A (0.32) | — | |
| SCHEMBL18774294 | 0.73 | — | — | |
| SCHEMBL16997447 | 0.72 | — | — | |
| SCHEMBL13875519 | 0.72 | KDM4A (0.30) | — | |
| SCHEMBL18774292 | 0.71 | CHRM2 (0.35) | — | |
| SCHEMBL16070446 | 0.71 | — | — |
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-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 |