⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6608877 | 0.79 | RAB9A (0.45) | — | |
| SCHEMBL587007 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL16033565 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL9102387 | 0.70 | — | — | |
| SCHEMBL2353580 | 0.69 | DAO (0.31) | — | |
| SCHEMBL578433 | 0.69 | — | — | |
| SCHEMBL3567301 | 0.69 | — | — | |
| SCHEMBL14994336 | 0.68 | — | — | |
| SCHEMBL2146734 | 0.68 | — | — | |
| SCHEMBL14782594 | 0.68 | HCAR2 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509975-B1 | BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INT (DE) | 2014-04-23 | — | — | EP | disclosed |
| US-8420655-B2 | Benzimidazole inhibitors of leukotriene production | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-04-16 | — | — | US | disclosed |
| EP-2509975-A1 | BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2012-10-17 | — | — | EP | disclosed |
| US-20110301161-A1 | BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-08 | — | — | US | disclosed |
| WO-2011068821-A1 | BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-09 | — | — | WO | disclosed |