⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1162584 | 0.61 | — | — | |
| SCHEMBL2033972 | 0.61 | — | — | |
| SCHEMBL240717 | 0.61 | — | — | |
| SCHEMBL14893203 | 0.61 | — | — | |
| SCHEMBL8115177 | 0.60 | — | — | |
| SCHEMBL12472958 | 0.60 | — | — | |
| SCHEMBL5827841 | 0.59 | KDM4E (0.32) | — | |
| SCHEMBL6553886 | 0.59 | — | — | |
| SCHEMBL128856 | 0.59 | HPGD (0.33) | — | |
| SCHEMBL2747368 | 0.58 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2152674-A1 | BENZIMIDAZOLONE CHYMASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008147697-A1 | BENZIMIDAZOLONE CHYMASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-12-04 | — | — | WO | disclosed |