⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16501641 | 0.75 | — | — | |
| SCHEMBL19047028 | 0.73 | — | — | |
| SCHEMBL19570392 | 0.58 | — | — | |
| SCHEMBL12320446 | 0.58 | — | — | |
| SCHEMBL19070273 | 0.56 | — | — | |
| SCHEMBL412920 | 0.56 | — | — | |
| SCHEMBL11173217 | 0.56 | — | — | |
| SCHEMBL13187448 | 0.56 | — | — | |
| SCHEMBL2041661 | 0.54 | — | — | |
| SCHEMBL1476809 | 0.53 | — | — |
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-20230271938-A1 | BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | CAPELLA THERAPEUTICS, INC. | 2023-08-31 | — | — | US | disclosed |
| EP-3119762-B9 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS INC (US) | 2021-10-20 | — | — | EP | disclosed |
| EP-3119762-B1 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS INC (US) | 2021-05-26 | — | — | EP | disclosed |