⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7790604 | 0.88 | — | — | |
| SCHEMBL7788689 | 0.83 | MAPK1 (0.30) | — | |
| SCHEMBL7782918 | 0.82 | MMP8 (0.36) | — | |
| SCHEMBL7783005 | 0.81 | MAPK1 (0.31) | — | |
| SCHEMBL10717075 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL7756989 | 0.79 | MAPK1 (0.32) | — | |
| SCHEMBL4392429 | 0.77 | MAPK1 (0.31) | — | |
| SCHEMBL16556403 | 0.77 | PRKCA (0.32) | — | |
| SCHEMBL501504 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL7759362 | 0.76 | MAPK1 (0.30) | — |
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-0850928-B1 | Novel peroxyoxalates derived from hydroxy-hydroperoxides | ATOFINA CHEM INC (US) | 2001-10-31 | — | — | EP | disclosed |