⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27088834 | 0.83 | — | — | |
| SCHEMBL27088840 | 0.83 | — | — | |
| SCHEMBL26522506 | 0.80 | — | — | |
| SCHEMBL24520337 | 0.79 | — | — | |
| SCHEMBL26151535 | 0.78 | — | — | |
| SCHEMBL26151521 | 0.78 | — | — | |
| SCHEMBL889308 | 0.76 | — | — | |
| SCHEMBL12213697 | 0.76 | — | — | |
| SCHEMBL18649187 | 0.74 | — | — | |
| SCHEMBL13062725 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322788-A1 | IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS | BEONE MEDICINES I GMBH (CH) | 2023-10-12 | — | — | US | disclosed |
| US-20220389021-A1 | INHIBITORS OF KRAS G12C | BEONE MEDICINES I GMBH (CH) | 2022-12-08 | — | — | US | disclosed |
| US-20210040089-A1 | KRAS MUTANT PROTEIN INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. | 2021-02-11 | — | — | US | disclosed |