⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25021351 | 0.82 | — | — | |
| SCHEMBL21912768 | 0.80 | — | — | |
| SCHEMBL21896256 | 0.78 | — | — | |
| SCHEMBL22087290 | 0.77 | KRAS (0.36) | — | |
| SCHEMBL21912130 | 0.77 | KRAS (0.36) | — | |
| SCHEMBL21912169 | 0.69 | — | — | |
| SCHEMBL22725374 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL22994718 | 0.63 | — | — | |
| SCHEMBL25021702 | 0.62 | — | — | |
| SCHEMBL21912184 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | disclosed |