⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25546353 | 1.00 | — | — | |
| SCHEMBL24176144 | 0.82 | CASP3 (0.38) | — | |
| SCHEMBL25668039 | 0.82 | CASP3 (0.38) | — | |
| SCHEMBL23205841 | 0.82 | CASP3 (0.38) | — | |
| SCHEMBL24918514 | 0.81 | — | — | |
| SCHEMBL23158048 | 0.81 | — | — | |
| SCHEMBL22924216 | 0.79 | — | — | |
| SCHEMBL26064179 | 0.79 | — | — | |
| SCHEMBL22349138 | 0.79 | — | — | |
| SCHEMBL22924157 | 0.78 | ALDH1A1 (0.38) | — |
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-20230203018-A1 | COVALENT INHIBITORS OF KRAS | ARAXES PHARMA LLC (US) | 2023-06-29 | — | — | US | disclosed |