⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461677 | 0.74 | — | — | |
| SCHEMBL1766010 | 0.72 | — | — | |
| SCHEMBL1765840 | 0.72 | — | — | |
| SCHEMBL1907620 | 0.72 | — | — | |
| SCHEMBL1903985 | 0.72 | — | — | |
| SCHEMBL1907146 | 0.72 | — | — | |
| SCHEMBL1766026 | 0.72 | — | — | |
| SCHEMBL11052255 | 0.71 | — | — | |
| Diallyl Sulfide SCHEMBL28796442 | 0.70 | ALOX5 (0.65) | — | |
| Diallyldisulfide SCHEMBL31552427 | 0.70 | TRPA1 (0.65) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0042661-B1 | SCORCH-SAFE ACCELERATION OF URETHANE VULCANIZATION OF UNSATURATED RUBBERS | UNIROYAL, INC. (US) | 1985-08-07 | — | — | EP | claimed |
| US-4324870-A | ADDUCT OF NITROSOPHENOL AND METHYLENEBIS/4-PHENYL ISOCYANATE/, DITHIOPHOSPHORIC ACID ESTER CURING AGENT | UNIROYAL, INC. (US) | 1982-04-13 | — | — | US | claimed |
| EP-0042661-A1 | Scorch-safe acceleration of urethane vulcanization of unsaturated rubbers | UNIROYAL, INC. (US) | 1981-12-30 | — | — | EP | claimed |
| EP-0042661-B1 | SCORCH-SAFE ACCELERATION OF URETHANE VULCANIZATION OF UNSATURATED RUBBERS | UNIROYAL, INC. (US) | 1985-08-07 | — | — | EP | disclosed |
| US-4324870-A | ADDUCT OF NITROSOPHENOL AND METHYLENEBIS/4-PHENYL ISOCYANATE/, DITHIOPHOSPHORIC ACID ESTER CURING AGENT | UNIROYAL, INC. (US) | 1982-04-13 | — | — | US | disclosed |
| EP-0042661-A1 | Scorch-safe acceleration of urethane vulcanization of unsaturated rubbers | UNIROYAL, INC. (US) | 1981-12-30 | — | — | EP | disclosed |