⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21895745 | 0.89 | — | — | |
| SCHEMBL19637855 | 0.84 | — | — | |
| SCHEMBL21846436 | 0.81 | KRAS (0.35) | — | |
| SCHEMBL21895536 | 0.71 | TLR7 (0.38) | — | |
| SCHEMBL21895575 | 0.66 | — | — | |
| SCHEMBL22086717 | 0.63 | — | — | |
| SCHEMBL25020009 | 0.61 | — | — | |
| SCHEMBL21846218 | 0.61 | HRH3 (0.35) | — | |
| SCHEMBL21846177 | 0.60 | — | — | |
| SCHEMBL21846280 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |