⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18369743 | 1.00 | — | — | |
| SCHEMBL4432521 | 0.71 | — | — | |
| SCHEMBL12345384 | 0.71 | — | — | |
| SCHEMBL19151053 | 0.71 | — | — | |
| SCHEMBL14014012 | 0.71 | — | — | |
| SCHEMBL25131411 | 0.71 | — | — | |
| SCHEMBL852746 | 0.69 | — | — | |
| SCHEMBL3632234 | 0.69 | — | — | |
| SCHEMBL242590 | 0.69 | — | — | |
| SCHEMBL59994 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11174245-B2 | Benzimidazole compounds and derivatives as EGFR inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-11-16 | — | — | US | disclosed |
| US-20200377476-A1 | NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-12-03 | — | — | US | disclosed |
| US-9713606-B2 | Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-07-25 | — | — | US | disclosed |
| EP-1812440-B1 | PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2010-09-22 | — | — | EP | disclosed |