⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9280289 | 0.98 | — | — | |
| SCHEMBL21178294 | 0.77 | CHRM1 (0.33) | — | |
| SCHEMBL21229849 | 0.77 | CHRM1 (0.33) | — | |
| SCHEMBL799099 | 0.77 | — | — | |
| SCHEMBL21136789 | 0.77 | — | — | |
| SCHEMBL799023 | 0.77 | — | — | |
| SCHEMBL13382848 | 0.76 | — | — | |
| SCHEMBL12583440 | 0.76 | — | — | |
| SCHEMBL16473519 | 0.76 | — | — | |
| SCHEMBL16473531 | 0.76 | — | — |
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 |