⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26343506 | 0.76 | L3MBTL1 (0.33) | — | |
| SCHEMBL24591353 | 0.74 | PGR (0.31) | — | |
| SCHEMBL35472 | 0.73 | — | — | |
| SCHEMBL22170064 | 0.70 | — | — | |
| SCHEMBL18056283 | 0.70 | — | — | |
| SCHEMBL16079942 | 0.69 | NPY5R (0.33) | — | |
| SCHEMBL18061421 | 0.69 | TRPA1 (0.30) | — | |
| SCHEMBL16079943 | 0.69 | NPY5R (0.33) | — | |
| SCHEMBL18515692 | 0.69 | — | — | |
| SCHEMBL7766013 | 0.69 | — | — |
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-1423382-B1 | PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF | VERTEX PHARMA (US) | 2008-04-16 | — | — | EP | disclosed |