⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL374862 | 1.00 | — | — | |
| SCHEMBL11460874 | 0.89 | — | — | |
| SCHEMBL21020045 | 0.88 | — | — | |
| SCHEMBL1069198 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL1069199 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081630 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL19751822 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL43488 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL20462167 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL44332 | 0.82 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3780226-B1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEM CORP (JP) | 2022-05-11 | — | — | EP | disclosed |
| EP-3780226-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | Mitsubishi Chemical Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |
| US-20210020991-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2021-01-21 | — | — | US | disclosed |
| EP-0566037-A2 | Polyisocyanates, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | disclosed |