⚠ 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27649860 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL27629468 | 0.77 | — | — | |
| SCHEMBL27686443 | 0.72 | — | — | |
| SCHEMBL2869747 | 0.72 | — | — | |
| SCHEMBL27582771 | 0.72 | — | — | |
| SCHEMBL27731216 | 0.71 | — | — | |
| SCHEMBL28076106 | 0.68 | — | — | |
| SCHEMBL2869041 | 0.64 | — | — | |
| SCHEMBL27910740 | 0.62 | — | — | |
| SCHEMBL2865200 | 0.59 | — | — |
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-101292308-A | Electrolysis solution and electrolytic capacitor using the same | SANYO CHEMICAL IND LTD (JP) | 2008-10-22 | — | — | CN | disclosed |