⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21080869 | 1.00 | — | — | |
| SCHEMBL24954674 | 0.78 | — | — | |
| SCHEMBL12265153 | 0.78 | — | — | |
| SCHEMBL10742753 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL22696758 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL9900218 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL12265152 | 0.70 | POLB (0.34) | — | |
| SCHEMBL12265151 | 0.70 | PSEN1 (0.46) | — | |
| SCHEMBL10224264 | 0.70 | PSEN1 (0.46) | — | |
| SCHEMBL28128975 | 0.69 | — | — |
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-10683304-B2 | Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer | CAPELLA THERAPEUTICS, INC. (US) | 2020-06-16 | — | — | US | disclosed |
| US-20190169204-A1 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS, INC. | 2019-06-06 | — | — | US | disclosed |