⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25021052 | 0.81 | KRAS (0.39) | — | |
| SCHEMBL25021516 | 0.81 | KRAS (0.39) | — | |
| SCHEMBL19637232 | 0.79 | NUDT1 (0.33) | — | |
| SCHEMBL25019964 | 0.78 | PRKCQ (0.30) | — | |
| SCHEMBL25019891 | 0.76 | KRAS (0.39) | — | |
| SCHEMBL21846319 | 0.75 | KRAS (0.46) | — | |
| SCHEMBL22994683 | 0.75 | KRAS (0.46) | — | |
| SCHEMBL19637244 | 0.73 | KRAS (0.51) | — | |
| SCHEMBL22725410 | 0.69 | — | — | |
| SCHEMBL21896284 | 0.67 | KRAS (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |