⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL928141 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL9338156 | 0.76 | — | — | |
| SCHEMBL9337570 | 0.75 | — | — | |
| SCHEMBL9339387 | 0.74 | — | — | |
| SCHEMBL2026387 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL1906158 | 0.70 | MAPK1 (0.42) | — | |
| SCHEMBL23162 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11588625 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11794407 | 0.67 | — | — | |
| SCHEMBL28250288 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850927-B1 | Novel oxalic acid peroxide compositions and their uses | ATOFINA CHEM INC (US) | 2001-03-14 | — | — | EP | disclosed |
| US-5866712-A | POLYMERIZATION AND CURING CATALYSTS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0850927-A1 | Novel oxalic acid peroxide compositions and uses | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-07-01 | — | — | EP | disclosed |
| 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 |