⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24914944 | 0.80 | ALOX15 (0.42) | — | |
| Hydrochloric Acid SCHEMBL30202802 | 0.78 | ALOX15 (0.40) | — | |
| SCHEMBL24803579 | 0.75 | PIK3CD (0.34) | — | |
| SCHEMBL17447555 | 0.74 | ATM (0.32) | — | |
| SCHEMBL22262762 | 0.72 | KDM4E (0.43) | — | |
| SCHEMBL11777036 | 0.72 | KDM4E (0.43) | — | |
| SCHEMBL23152224 | 0.70 | — | — | |
| SCHEMBL29187079 | 0.70 | — | — | |
| SCHEMBL30856760 | 0.70 | — | — | |
| SCHEMBL30000677 | 0.70 | — | — |
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-2022269508-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2022-12-29 | — | — | WO | disclosed |