⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008289 | 0.53 | RAF1 (0.37) | — | |
| SCHEMBL20008461 | 0.53 | PBRM1 (0.35) | — | |
| SCHEMBL19529245 | 0.52 | RAF1 (0.47) | — | |
| SCHEMBL20008154 | 0.51 | RAF1 (0.45) | — | |
| SCHEMBL20010419 | 0.50 | ALDH1A3 (0.36) | — | |
| SCHEMBL20008265 | 0.50 | RAF1 (0.43) | — | |
| SCHEMBL20008496 | 0.49 | RAF1 (0.37) | — | |
| SCHEMBL13104691 | 0.46 | AGBL2 (0.45) | — | |
| SCHEMBL24300510 | 0.45 | — | — | |
| SCHEMBL28531102 | 0.45 | HCAR3 (0.41) | — |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |