⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1425424 | 0.61 | KCNN4 (0.44) | — | |
| SCHEMBL1425298 | 0.59 | KCNN4 (0.46) | — | |
| SCHEMBL1425971 | 0.57 | KCNN4 (0.38) | — | |
| SCHEMBL983904 | 0.57 | KCNN4 (0.50) | — | |
| SCHEMBL982800 | 0.56 | KCNN4 (0.46) | — | |
| SCHEMBL26665711 | 0.56 | RAB9A (0.37) | — | |
| SCHEMBL4560912 | 0.54 | RAB9A (0.53) | — | |
| SCHEMBL31039477 | 0.54 | RAB9A (0.53) | — | |
| SCHEMBL21284326 | 0.54 | KDM4E (0.36) | — | |
| SCHEMBL14184980 | 0.54 | GAA (0.46) | — |
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-2205589-B1 | C-MET PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2011-03-23 | — | — | EP | disclosed |