⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28280758 | 0.87 | DGKA (0.39) | — | |
| SCHEMBL9936926 | 0.86 | ALDH1A1 (0.40) | — | |
| SCHEMBL7429574 | 0.82 | FAAH (0.38) | — | |
| SCHEMBL9937166 | 0.81 | DGKA (0.43) | — | |
| SCHEMBL813361 | 0.79 | ADRA2A (0.54) | — | |
| SCHEMBL813498 | 0.79 | MGAM (0.50) | — | |
| SCHEMBL9936704 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL181426 | 0.77 | — | — | |
| SCHEMBL6292990 | 0.77 | — | — | |
| SCHEMBL2838461 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591223-A | Beta-lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2022-06-07 | — | — | CN | disclosed |
| US-9472813-B2 | Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution | DOW GLOBAL TECHNOLOGIES LLC (US) | 2016-10-18 | — | — | US | disclosed |
| CN-103262329-B | Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution | DOW GLOBAL TECHNOLOGIES LLC (US) | 2016-02-10 | — | — | CN | disclosed |
| EP-2652832-A1 | BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION | Dow Global Technologies LLC (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20130260229-A1 | BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-10-03 | — | — | US | disclosed |
| CN-103262329-A | Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution | DOW GLOBAL TECHNOLOGIES INC | 2013-08-21 | — | — | CN | disclosed |
| WO-2012082760-A1 | BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-06-21 | — | — | WO | disclosed |