⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1009287 | 0.69 | — | — | |
| SCHEMBL20909 | 0.65 | — | — | |
| SCHEMBL886759 | 0.65 | — | — | |
| SCHEMBL1007994 | 0.64 | — | — | |
| SCHEMBL4087492 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL28884749 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL588407 | 0.60 | MAPK1 (0.37) | — | |
| Benzene SCHEMBL29287884 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL8568768 | 0.59 | — | — | |
| SCHEMBL1008102 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |