⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22967880 | 0.92 | NOS1 (0.32) | — | |
| SCHEMBL17030759 | 0.79 | IDO1 (0.41) | — | |
| SCHEMBL21938210 | 0.75 | IDO1 (0.38) | — | |
| SCHEMBL22924097 | 0.72 | CYP17A1 (0.30) | — | |
| SCHEMBL24944418 | 0.72 | — | — | |
| SCHEMBL24285781 | 0.71 | IDO1 (0.34) | — | |
| SCHEMBL22967842 | 0.69 | MAPT (0.34) | — | |
| SCHEMBL22924093 | 0.69 | — | — | |
| SCHEMBL18408609 | 0.68 | — | — | |
| SCHEMBL24089313 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210380595-A1 | 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS | ARAXES PHARMA LLC (US) | 2021-12-09 | — | — | US | disclosed |