⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11775773 | 0.67 | — | — | |
| SCHEMBL11045028 | 0.62 | — | — | |
| SCHEMBL10511159 | 0.58 | — | — | |
| Diallyldisulfide SCHEMBL93944 | 0.54 | — | — | |
| Diallyldisulfide SCHEMBL18687005 | 0.54 | TRPA1 (1.00) | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.54 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.54 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.54 | ALOX5 (1.00) | — | |
| Diallyl Sulfide SCHEMBL1341201 | 0.54 | ALOX5 (0.79) | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6531496-B1 | Pesticides in crop protection | BAYER AKTIENGESELLSCHAFT (DE) | 2003-03-11 | — | — | US | disclosed |
| EP-1173428-A1 | O-ARYL DITHIAZOLE DIOXIDES | Bayer Aktiengesellschaft (DE) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000064881-A1 | O-ARYL DITHIAZOLE DIOXIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-02 | — | — | WO | disclosed |