⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318613 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14354440 | 0.98 | NOS3 (0.46) | — | |
| SCHEMBL317658 | 0.82 | BACE1 (0.53) | — | |
| SCHEMBL14899757 | 0.81 | — | — | |
| SCHEMBL319001 | 0.79 | — | — | |
| SCHEMBL293456 | 0.79 | — | — | |
| SCHEMBL319000 | 0.79 | — | — | |
| SCHEMBL317937 | 0.79 | — | — | |
| SCHEMBL20822064 | 0.79 | — | — | |
| SCHEMBL8335578 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118660880-A | Quinazoline pan KRAS inhibitors | 米拉蒂治疗股份有限公司 | 2024-09-17 | — | — | CN | disclosed |
| EP-4262807-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |