⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21099211 | 0.81 | SMARCA2 (0.37) | — | |
| SCHEMBL21050985 | 0.77 | MDM2 (0.33) | — | |
| SCHEMBL21050917 | 0.70 | SMARCA2 (0.38) | — | |
| SCHEMBL21099607 | 0.70 | MET (0.39) | — | |
| SCHEMBL21136722 | 0.66 | MAP4K4 (0.42) | — | |
| SCHEMBL21050918 | 0.66 | ABL1 (0.36) | — | |
| SCHEMBL21099203 | 0.63 | MET (0.39) | — | |
| SCHEMBL21099612 | 0.61 | KRAS (0.50) | — | |
| SCHEMBL25225814 | 0.58 | NFE2L2 (0.31) | — | |
| SCHEMBL24818332 | 0.57 | MAPKAPK2 (0.33) | — |
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-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |