⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21781683 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL22065057 | 0.83 | HTT (0.35) | — | |
| SCHEMBL22065357 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL21780167 | 0.75 | — | — | |
| SCHEMBL16402252 | 0.75 | NAAA (0.34) | — | |
| SCHEMBL10165255 | 0.74 | — | — | |
| SCHEMBL1989285 | 0.72 | NAAA (0.43) | — | |
| SCHEMBL21781851 | 0.70 | L3MBTL1 (0.41) | — | |
| SCHEMBL10165080 | 0.68 | — | — | |
| SCHEMBL12176137 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3618164-A1 | LITHIUM ION BATTERY NON-AQUEOUS ELECTROLYTE AND LITHIUM ION BATTERY | Shenzhen Capchem Technology Co., Ltd (CN) | 2020-03-04 | — | — | EP | disclosed |