⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19003857 | 0.93 | NPC1 (0.30) | — | |
| SCHEMBL23787807 | 0.85 | KDM4A (0.33) | — | |
| SCHEMBL17001516 | 0.82 | NPC1 (0.34) | — | |
| SCHEMBL18774292 | 0.81 | CHRM2 (0.35) | — | |
| SCHEMBL19903948 | 0.73 | HSD17B3 (0.42) | — | |
| SCHEMBL19903953 | 0.72 | — | — | |
| SCHEMBL14817853 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL7718268 | 0.69 | APP (0.42) | — | |
| SCHEMBL9915630 | 0.69 | APP (0.42) | — | |
| SCHEMBL9915609 | 0.69 | APP (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150224041-A1 | PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE-PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE | L'OREAL (FR) | 2015-08-13 | — | — | US | disclosed |