⚠ 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 | |
|---|---|---|---|---|
| Hydroxyl Radical SCHEMBL1801144 | 0.76 | — | — | |
| SCHEMBL9786823 | 0.70 | — | — | |
| SCHEMBL29369 | 0.68 | — | — | |
| SCHEMBL17339046 | 0.67 | — | — | |
| SCHEMBL251075 | 0.60 | — | — | |
| SCHEMBL2232949 | 0.60 | — | — | |
| SCHEMBL9134373 | 0.59 | — | — | |
| Bicarbonate SCHEMBL5935316 | 0.56 | — | — | |
| Hydrogen Peroxide SCHEMBL4585128 | 0.54 | — | — | |
| Hydrogen Peroxide SCHEMBL10686299 | 0.54 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006016903-A2 | 1, 2,4-TRIOXANES AND 1, 2, 4-TRIOXEPANES | ROMARK LABORATORIES, L.C. (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20050256184-A1 | 1,2,4-Trioxanes and 1,2,4-trioxepanes | O'NEILL PAUL M | 2005-11-17 | — | — | US | 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 |