⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15297510 | 1.00 | — | — | |
| SCHEMBL4095376 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17022789 | 0.97 | — | — | |
| SCHEMBL4107099 | 0.81 | — | — | |
| SCHEMBL17029965 | 0.81 | — | — | |
| SCHEMBL23961069 | 0.81 | NOS3 (0.32) | — | |
| SCHEMBL4108080 | 0.81 | — | — | |
| SCHEMBL17030141 | 0.80 | — | — | |
| SCHEMBL17030189 | 0.80 | — | — | |
| SCHEMBL4101558 | 0.78 | TSHR (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2831075-B1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-11-08 | — | — | EP | disclosed |
| US-8962843-B2 | 1,3,4-oxadiazole and 1,3,4-thiadiazole beta-lactamase inhibitors | CUBIST PHARMACEUTICALS, INC. (US) | 2015-02-24 | — | — | US | disclosed |
| US-20130296290-A1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC | 2013-11-07 | — | — | US | disclosed |
| WO-2013149121-A1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS | CUBIST PHARMACEUTICALS, INC. (US) | 2013-10-03 | — | — | WO | disclosed |
| EP-1924264-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025925-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| EP-1725540-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095359-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |