⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7790687 | 0.90 | — | — | |
| SCHEMBL7783020 | 0.81 | CYP19A1 (0.38) | — | |
| SCHEMBL11408595 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL7921595 | 0.70 | PTGS1 (0.40) | — | |
| SCHEMBL8334241 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL9243935 | 0.69 | FAAH (0.32) | — | |
| SCHEMBL11139364 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL7782912 | 0.69 | — | — | |
| SCHEMBL834672 | 0.67 | — | — | |
| SCHEMBL7931041 | 0.66 | SLC7A5 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850928-B1 | Novel peroxyoxalates derived from hydroxy-hydroperoxides | ATOFINA CHEM INC (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5981787-A | INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0850928-A1 | Novel peroxyoxalates derived from hydroxy-hydroperoxides | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-07-01 | — | — | EP | disclosed |