⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22079317 | 0.89 | — | — | |
| SCHEMBL22041801 | 0.74 | RET (0.43) | — | |
| SCHEMBL22041795 | 0.74 | RET (0.43) | — | |
| SCHEMBL22079285 | 0.73 | RET (0.36) | — | |
| SCHEMBL24581167 | 0.69 | DEGS1 (0.36) | — | |
| SCHEMBL21744590 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL22041857 | 0.66 | RET (0.43) | — | |
| SCHEMBL22041858 | 0.66 | RET (0.43) | — | |
| SCHEMBL22079316 | 0.63 | AKT1 (0.37) | — | |
| SCHEMBL22041863 | 0.62 | RET (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 |
|---|---|---|---|---|---|---|---|
| WO-2020114474-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 苏州信诺维医药科技有限公司 | 2020-06-11 | — | — | WO | disclosed |