⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25480910 | 0.77 | HSD17B10 (0.51) | — | |
| SCHEMBL20373655 | 0.76 | — | — | |
| SCHEMBL17121771 | 0.72 | — | — | |
| SCHEMBL8602119 | 0.72 | — | — | |
| SCHEMBL20230878 | 0.70 | — | — | |
| SCHEMBL22332314 | 0.70 | SSTR4 (0.33) | — | |
| SCHEMBL9815474 | 0.67 | — | — | |
| SCHEMBL9815476 | 0.67 | — | — | |
| SCHEMBL9639612 | 0.67 | — | — | |
| SCHEMBL17165003 | 0.67 | — | — |
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-11377441-B2 | Covalent inhibitors of KRAS | ARAXES PHARMA LLC (US) | 2022-07-05 | — | — | US | disclosed |
| US-20210024501-A1 | COVALENT INHIBITORS OF KRAS | ARAXES PHARMA LLC | 2021-01-28 | — | — | US | disclosed |
| US-20180141927-A1 | INHIBITORS OF KRAS G12C MUTANT PROTEINS | ARAXES PHARMA LLC | 2018-05-24 | — | — | US | disclosed |