⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936991 | 0.83 | ABHD6 (0.36) | — | |
| SCHEMBL17264841 | 0.79 | GABRA1 (0.31) | — | |
| SCHEMBL9937013 | 0.78 | MMP8 (0.32) | — | |
| SCHEMBL25953808 | 0.76 | GABRA1 (0.30) | — | |
| SCHEMBL2607995 | 0.75 | — | — | |
| SCHEMBL17972685 | 0.75 | RORC (0.36) | — | |
| SCHEMBL25953804 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL12095052 | 0.74 | RORC (0.34) | — | |
| SCHEMBL1931602 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL701888 | 0.74 | RORC (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |