⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22924131 | 0.67 | — | — | |
| SCHEMBL22349135 | 0.66 | — | — | |
| SCHEMBL26578040 | 0.66 | — | — | |
| SCHEMBL22924179 | 0.63 | — | — | |
| SCHEMBL22924124 | 0.61 | — | — | |
| SCHEMBL22349136 | 0.58 | CYP11B1 (0.39) | — | |
| SCHEMBL25724223 | 0.55 | MAPT (0.33) | — | |
| SCHEMBL25667872 | 0.55 | NQO2 (0.44) | — | |
| SCHEMBL22924127 | 0.54 | NQO2 (0.32) | — | |
| SCHEMBL25667950 | 0.52 | ALOX15 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210024501-A1 | COVALENT INHIBITORS OF KRAS | ARAXES PHARMA LLC | 2021-01-28 | — | — | US | disclosed |