⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22446001 | 0.70 | PDPK1 (0.32) | — | |
| SCHEMBL24804359 | 0.69 | AR (0.31) | — | |
| SCHEMBL17621553 | 0.67 | MAP3K12 (0.32) | — | |
| SCHEMBL20083708 | 0.66 | — | — | |
| SCHEMBL929673 | 0.64 | TACR3 (0.37) | — | |
| SCHEMBL24493110 | 0.63 | — | — | |
| SCHEMBL24576050 | 0.63 | — | — | |
| SCHEMBL19788784 | 0.62 | MAP3K12 (0.33) | — | |
| SCHEMBL17616415 | 0.62 | — | — | |
| SCHEMBL26833418 | 0.61 | OPRD1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240317721-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2024-09-26 | — | — | US | disclosed |
| CN-117425649-A | Pyrazole derivatives as KRAS mutein inhibitors | 诺华股份有限公司 | 2024-01-19 | — | — | CN | disclosed |
| WO-2022269508-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2022-12-29 | — | — | WO | disclosed |