⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL777733 | 0.79 | — | — | |
| SCHEMBL5858093 | 0.79 | — | — | |
| SCHEMBL29093929 | 0.77 | — | — | |
| SCHEMBL5399850 | 0.76 | CTSA (0.39) | — | |
| SCHEMBL776770 | 0.71 | — | — | |
| SCHEMBL778200 | 0.68 | — | — | |
| SCHEMBL25644075 | 0.68 | ACHE (0.36) | — | |
| SCHEMBL4136471 | 0.68 | — | — | |
| SCHEMBL29253442 | 0.67 | SMPD1 (0.32) | — | |
| SCHEMBL25219328 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116057745-A | Nonaqueous electrolyte and power storage device using same | MU电解液株式会社 | 2023-05-02 | — | — | CN | disclosed |