⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576142 | 0.66 | — | — | |
| SCHEMBL5049335 | 0.63 | — | — | |
| SCHEMBL13461940 | 0.63 | — | — | |
| SCHEMBL13657406 | 0.62 | — | — | |
| Water SCHEMBL3417200 | 0.61 | — | — | |
| SCHEMBL602732 | 0.59 | — | — | |
| SCHEMBL24221062 | 0.57 | — | — | |
| SCHEMBL19397196 | 0.55 | — | — | |
| SCHEMBL25739834 | 0.55 | — | — | |
| SCHEMBL24400108 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3086396-B1 | NONAQUEOUS ELECTROLYTE WITH CARBOXYLIC ACID ESTER COMPOUND AND ENERGY STORAGE DEVICE USING SAME | UBE INDUSTRIES (JP) | 2019-06-05 | — | — | EP | disclosed |