⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9851237 | 0.71 | — | — | |
| SCHEMBL7073707 | 0.71 | — | — | |
| SCHEMBL4959464 | 0.68 | — | — | |
| SCHEMBL1520907 | 0.67 | — | — | |
| SCHEMBL2264540 | 0.66 | — | — | |
| SCHEMBL19518262 | 0.65 | — | — | |
| SCHEMBL995962 | 0.59 | — | — | |
| SCHEMBL3068640 | 0.58 | — | — | |
| SCHEMBL28954022 | 0.56 | — | — | |
| SCHEMBL16669881 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2822941-A1 | BENZODIOXANES IN COMBINATION WITH OTHER ACTIVES FOR INHIBITING LEUKOTRIENE PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2015-01-14 | — | — | EP | disclosed |
| EP-2686310-A1 | BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2014-01-22 | — | — | EP | disclosed |
| WO-2013131901-A1 | BENZODIOXANES IN COMBINATION WITH OTHER ACTIVES FOR INHIBITING LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-12 | — | — | WO | disclosed |
| WO-2012125598-A1 | BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-09-20 | — | — | WO | disclosed |
| US-4997985-A | Alpha amino acid amide compounds which are useful intermediates in the preparation of herbicides | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |
| US-4895588-A | Substituted imidazolones having herbicidal activity | CIBA-GEIGY CORPORATION (US) | 1990-01-23 | — | — | US | disclosed |