⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15221733 | 1.00 | — | — | |
| SCHEMBL15221736 | 1.00 | — | — | |
| SCHEMBL5572435 | 0.85 | CA2 (0.31) | — | |
| SCHEMBL5574160 | 0.76 | — | — | |
| SCHEMBL9647513 | 0.75 | — | — | |
| SCHEMBL9403179 | 0.75 | — | — | |
| SCHEMBL353180 | 0.75 | — | — | |
| SCHEMBL15519231 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL7480573 | 0.73 | — | — | |
| SCHEMBL4334428 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109148953-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2019-01-04 | — | — | CN | disclosed |
| CN-103339784-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2013-10-02 | — | — | CN | disclosed |