⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29210775 | 0.80 | — | — | |
| SCHEMBL5585336 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL12547112 | 0.78 | CYP4F2 (0.30) | — | |
| SCHEMBL19882352 | 0.76 | SLC6A4 (0.34) | — | |
| SCHEMBL18531606 | 0.74 | HSD11B1 (0.35) | — | |
| SCHEMBL1932368 | 0.74 | CYP4F2 (0.39) | — | |
| SCHEMBL28776865 | 0.74 | LTA4H (0.33) | — | |
| SCHEMBL19011716 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL3801077 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL5585735 | 0.72 | — | — |
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-117524749-A | High-voltage dipyrrolidine ionic liquid electrolyte and preparation method thereof | 烟台先进材料与绿色制造山东省实验室 | 2024-02-06 | — | — | CN | disclosed |