⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21246420 | 0.83 | — | — | |
| SCHEMBL6206429 | 0.64 | — | — | |
| SCHEMBL5535356 | 0.60 | — | — | |
| SCHEMBL4810322 | 0.56 | ELANE (0.32) | — | |
| SCHEMBL18716326 | 0.53 | BACE1 (0.32) | — | |
| SCHEMBL22654554 | 0.53 | TSHR (0.36) | — | |
| SCHEMBL7189883 | 0.53 | TSHR (0.36) | — | |
| SCHEMBL19712785 | 0.52 | — | — | |
| SCHEMBL811016 | 0.52 | — | — | |
| SCHEMBL16109945 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220029199-A1 | NON-AQUEOUS ELECTROLYTE SOLUTION FOR BATTERY AND LITHIUM SECONDARY BATTERY | MITSUI CHEMICALS, INC. (JP) | 2022-01-27 | — | — | US | disclosed |
| US-11043698-B2 | Electrolytic solution, electrochemical device, lithium-ion secondary cell, and module | DAIKIN INDUSTRIES, LTD. (JP) | 2021-06-22 | — | — | US | disclosed |
| EP-3522288-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | Daikin Industries, Ltd. (JP) | 2019-08-07 | — | — | EP | disclosed |