⚠ 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 | |
|---|---|---|---|---|
| Methanesulfonyl Fluoride SCHEMBL29034653 | 0.87 | — | — | |
| Dimethyl Sulfone SCHEMBL27647353 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL28426346 | 0.78 | — | — | |
| SCHEMBL28937374 | 0.75 | — | — | |
| Dimethyl Sulfone SCHEMBL27855344 | 0.75 | — | — | |
| SCHEMBL12211325 | 0.74 | — | — | |
| Dimethyl Sulfone SCHEMBL19382 | 0.74 | — | — | |
| SCHEMBL19550 | 0.74 | — | — | |
| Dimethyl Sulfone SCHEMBL169867 | 0.74 | KDM4E (1.00) | — | |
| SCHEMBL13716379 | 0.74 | — | — |
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-104025366-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2014-09-03 | — | — | CN | disclosed |