⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20680100 | 1.00 | — | — | |
| SCHEMBL3320953 | 1.00 | — | — | |
| SCHEMBL5092375 | 1.00 | — | — | |
| SCHEMBL16635567 | 1.00 | — | — | |
| SCHEMBL29230833 | 1.00 | — | — | |
| SCHEMBL2853164 | 1.00 | — | — | |
| SCHEMBL1934100 | 1.00 | — | — | |
| SCHEMBL8763577 | 0.86 | — | — | |
| SCHEMBL4254075 | 0.82 | ATM (0.42) | — | |
| SCHEMBL1442995 | 0.82 | — | — |
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-3908283-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-11-17 | — | — | EP | disclosed |
| WO-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |