⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28096521 | 0.94 | CHRM2 (0.32) | — | |
| Bromide SCHEMBL28084571 | 0.92 | CHRM2 (0.31) | — | |
| SCHEMBL28096063 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL28069225 | 0.82 | — | — | |
| SCHEMBL28703226 | 0.79 | GLB1 (0.33) | — | |
| SCHEMBL28286474 | 0.78 | OPRM1 (0.34) | — | |
| SCHEMBL29270274 | 0.77 | — | — | |
| SCHEMBL28303233 | 0.76 | DNM1 (0.34) | — | |
| SCHEMBL27890148 | 0.76 | GLB1 (0.31) | — | |
| SCHEMBL3772638 | 0.75 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118203964-A | Method for continuously preparing carbon dioxide gas separation membrane and product | 温州灵碳金刚科技有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-118203964-A | Method for continuously preparing carbon dioxide gas separation membrane and product | 温州灵碳金刚科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-101486661-A | Method for preparing tetraalkyl quaternary ammonium type amino acid ion liquid | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2009-07-22 | — | — | CN | disclosed |