⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16053196 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL23882220 | 0.86 | CYP46A1 (0.30) | — | |
| SCHEMBL26966929 | 0.85 | — | — | |
| SCHEMBL29128116 | 0.85 | — | — | |
| SCHEMBL29128119 | 0.85 | — | — | |
| SCHEMBL3572340 | 0.84 | — | — | |
| SCHEMBL3572343 | 0.84 | — | — | |
| SCHEMBL3572337 | 0.84 | — | — | |
| SCHEMBL16963243 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL3061976 | 0.81 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230181536-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO LTD (JP) | 2023-06-15 | — | — | US | disclosed |
| WO-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |