⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22228978 | 0.80 | — | — | |
| SCHEMBL22228984 | 0.80 | — | — | |
| SCHEMBL575063 | 0.80 | — | — | |
| SCHEMBL319242 | 0.77 | — | — | |
| SCHEMBL9418782 | 0.77 | — | — | |
| SCHEMBL575161 | 0.77 | — | — | |
| SCHEMBL575197 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL575095 | 0.76 | — | — | |
| SCHEMBL15655648 | 0.73 | CTSK (0.32) | — | |
| SCHEMBL2215577 | 0.73 | ALDH1A1 (0.35) | — |
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-2450997-B1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | MITSUBISHI CHEM CORP (JP) | 2017-03-22 | — | — | EP | disclosed |