⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10945815 | 0.82 | — | — | |
| SCHEMBL3657411 | 0.81 | — | — | |
| SCHEMBL730745 | 0.72 | — | — | |
| SCHEMBL17011629 | 0.71 | — | — | |
| SCHEMBL19509844 | 0.70 | ADH1B (0.37) | — | |
| SCHEMBL23199899 | 0.69 | — | — | |
| SCHEMBL10875443 | 0.69 | — | — | |
| SCHEMBL22973777 | 0.67 | — | — | |
| SCHEMBL81843 | 0.65 | — | — | |
| SCHEMBL429738 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0102062-B1 | 1,3-DITHIANES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1988-11-23 | — | — | EP | disclosed |
| US-4640929-A | Insecticidally, acaricidally, and nematocidally 2-amino-1,3-dithiane derivatives and pesticidal compositions therefor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-02-03 | — | — | US | disclosed |
| EP-0102062-A2 | 1,3-Dithianes, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1984-03-07 | — | — | EP | disclosed |