⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1822155 | 0.82 | — | — | |
| SCHEMBL257500 | 0.78 | — | — | |
| SCHEMBL18867387 | 0.77 | — | — | |
| SCHEMBL17149930 | 0.76 | — | — | |
| SCHEMBL2935690 | 0.73 | — | — | |
| SCHEMBL27726904 | 0.73 | MAPK1 (0.52) | — | |
| SCHEMBL15043736 | 0.73 | MAPK1 (0.47) | — | |
| SCHEMBL12126309 | 0.73 | — | — | |
| SCHEMBL12984658 | 0.73 | MAPK1 (0.56) | — | |
| SCHEMBL22143643 | 0.71 | — | — |
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-2021030620-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-02-18 | — | — | WO | disclosed |