⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19010150 | 0.78 | NOS3 (0.30) | — | |
| SCHEMBL18430829 | 0.61 | — | — | |
| SCHEMBL10076125 | 0.61 | — | — | |
| SCHEMBL12217206 | 0.61 | — | — | |
| SCHEMBL12217229 | 0.57 | — | — | |
| SCHEMBL12217251 | 0.57 | — | — | |
| SCHEMBL15038177 | 0.55 | — | — | |
| SCHEMBL12070420 | 0.55 | — | — | |
| SCHEMBL20353674 | 0.53 | — | — | |
| SCHEMBL21128692 | 0.53 | NOS3 (0.30) | — |
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-10005765-B2 | Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer | CAPELLA THERAPEUTICS, INC. (US) | 2018-06-26 | — | — | US | disclosed |
| US-20170183330-A1 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS, INC. (US) | 2017-06-29 | — | — | US | disclosed |
| US-20170174697-A1 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS, INC. | 2017-06-22 | — | — | US | disclosed |