⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23930999 | 0.86 | — | — | |
| SCHEMBL23931005 | 0.83 | — | — | |
| SCHEMBL23930981 | 0.82 | — | — | |
| SCHEMBL23931019 | 0.79 | — | — | |
| SCHEMBL23930979 | 0.79 | — | — | |
| SCHEMBL21880058 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL23930983 | 0.77 | — | — | |
| SCHEMBL23930995 | 0.74 | — | — | |
| SCHEMBL23930954 | 0.74 | — | — | |
| SCHEMBL23930993 | 0.73 | PIK3CD (0.39) | — |
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-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 |