⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14143130 | 0.78 | — | — | |
| SCHEMBL18599939 | 0.78 | — | — | |
| SCHEMBL19072532 | 0.76 | TRPA1 (0.33) | — | |
| SCHEMBL17664991 | 0.74 | — | — | |
| SCHEMBL16810635 | 0.74 | — | — | |
| SCHEMBL27438414 | 0.74 | — | — | |
| SCHEMBL14067446 | 0.74 | — | — | |
| SCHEMBL27426401 | 0.74 | — | — | |
| SCHEMBL23678799 | 0.74 | — | — | |
| SCHEMBL20843993 | 0.72 | — | — |
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-20190262342-A1 | COMBINATION THERAPIES FOR TREATMENT OF CANCER | ARAXES PHARMA LLC | 2019-08-29 | — | — | US | disclosed |
| US-10370386-B2 | Substituted quinolines as inhibitors of KRAS G12C | ARAXES PHARMA LLC (US) | 2019-08-06 | — | — | US | disclosed |
| US-20180118757-A1 | SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC | 2018-05-03 | — | — | US | disclosed |