⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23371610 | 0.66 | — | — | |
| SCHEMBL10060245 | 0.52 | — | — | |
| SCHEMBL217938 | 0.45 | ALDH1A1 (0.57) | — | |
| SCHEMBL13630486 | 0.45 | — | — | |
| SCHEMBL6012917 | 0.45 | — | — | |
| SCHEMBL14768695 | 0.45 | — | — | |
| SCHEMBL5831499 | 0.44 | ALDH1A1 (0.36) | — | |
| SCHEMBL2991373 | 0.44 | — | — | |
| SCHEMBL22496003 | 0.43 | ALDH1A1 (0.92) | — | |
| SCHEMBL1577285 | 0.42 | — | — |
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-3904337-A1 | SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL | FUJIFILM Wako Pure Chemical Corporation (JP) | 2021-11-03 | — | — | EP | disclosed |