⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9192994 | 0.80 | — | — | |
| SCHEMBL8469152 | 0.79 | — | — | |
| SCHEMBL28902406 | 0.76 | — | — | |
| SCHEMBL7901767 | 0.75 | — | — | |
| SCHEMBL8149490 | 0.75 | — | — | |
| SCHEMBL11807850 | 0.75 | — | — | |
| SCHEMBL17105917 | 0.75 | — | — | |
| SCHEMBL239097 | 0.73 | — | — | |
| SCHEMBL29572345 | 0.71 | — | — | |
| SCHEMBL9356334 | 0.70 | — | — |
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-1549640-A4 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2008-08-06 | — | — | EP | disclosed |
| US-7199142-B2 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. (US) | 2007-04-03 | — | — | US | disclosed |
| US-20050245575-A1 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. | 2005-11-03 | — | — | US | disclosed |
| EP-1549640-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004035538-A1 | PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID | MERCK & CO., INC. (US) | 2004-04-29 | — | — | WO | disclosed |
| WO-2003105771-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |