⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11025127 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL30354095 | 0.74 | CYP3A4 (0.38) | — | |
| SCHEMBL30435783 | 0.74 | CYP3A4 (0.38) | — | |
| SCHEMBL4357969 | 0.74 | CYP3A4 (0.38) | — | |
| SCHEMBL11025034 | 0.73 | — | — | |
| SCHEMBL4454468 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL29367755 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL11028603 | 0.68 | CTRC (0.39) | — | |
| SCHEMBL1950280 | 0.66 | CYP3A4 (0.46) | — | |
| SCHEMBL4452908 | 0.66 | CYP1A2 (0.45) | — |
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-0038459-B1 | PROCESS FOR THE PREVENTION OF REVERSION DURING THE MANUFACTURE OF RUBBER VULCANISATES | BAYER AG (DE) | 1985-07-10 | — | — | EP | disclosed |
| US-4340695-A | Vulcanization system, rubber mixture containing said system and a process of vulcanization | BAYER AKTIENGESELLSCHAFT (DE) | 1982-07-20 | — | — | US | disclosed |
| EP-0038459-A1 | Process for the prevention of reversion during the manufacture of rubber vulcanisates | BAYER AG (DE) | 1981-10-28 | — | — | EP | disclosed |