⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22924113 | 0.76 | — | — | |
| SCHEMBL27051485 | 0.72 | MAPK1 (0.39) | — | |
| SCHEMBL24592467 | 0.72 | — | — | |
| SCHEMBL25724145 | 0.63 | — | — | |
| SCHEMBL27051467 | 0.61 | — | — | |
| SCHEMBL25696136 | 0.61 | MAPK1 (0.36) | — | |
| SCHEMBL25667781 | 0.60 | MAPK1 (0.32) | — | |
| SCHEMBL23588974 | 0.60 | CYP1A2 (0.33) | — | |
| SCHEMBL25667783 | 0.60 | MAPK1 (0.37) | — | |
| SCHEMBL25669236 | 0.59 | ADRA2A (0.30) | — |
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 2 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 |