⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009074 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27944044 | 0.74 | — | — | |
| SCHEMBL26077561 | 0.73 | — | — | |
| SCHEMBL25571558 | 0.73 | LRRK2 (0.37) | — | |
| SCHEMBL28164369 | 0.71 | — | — | |
| SCHEMBL28033250 | 0.71 | HCAR2 (0.53) | — | |
| SCHEMBL15577212 | 0.70 | ALOX15 (0.52) | — | |
| SCHEMBL18236163 | 0.67 | HCAR2 (0.44) | — | |
| SCHEMBL8531840 | 0.67 | — | — | |
| SCHEMBL10442596 | 0.66 | HCAR2 (0.46) | — |
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-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 |