⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9103308 | 0.84 | — | — | |
| SCHEMBL7757439 | 0.79 | GAA (0.38) | — | |
| SCHEMBL7758013 | 0.78 | CYP2D6 (0.31) | — | |
| SCHEMBL9101612 | 0.78 | EPHX1 (0.37) | — | |
| SCHEMBL7753339 | 0.78 | EPHX1 (0.37) | — | |
| SCHEMBL9106881 | 0.78 | CA2 (0.39) | — | |
| SCHEMBL7757438 | 0.76 | CYP19A1 (0.41) | — | |
| SCHEMBL9292191 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL28671856 | 0.71 | MAPT (0.30) | — | |
| SCHEMBL7756989 | 0.69 | MAPK1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5451654-A | Addition polymerization catalyst | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5387654-A | Hydroxy-peroxides and their uses | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0381135-B1 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA (US) | 1994-06-01 | — | — | EP | disclosed |
| US-5304649-A | Curing agent for unsaturated polyesters | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0381135-A2 | Novel hydroxy-peroxides and their uses | ATOCHEM NORTH AMERICA, INC. (US) | 1990-08-08 | — | — | EP | disclosed |