⚠ 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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL14764035 | 0.78 | ALOX5 (1.00) | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.78 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.78 | — | — | |
| SCHEMBL898058 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL9280151 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL7130288 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL4560172 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL5175822 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL21385126 | 0.74 | ALOX5 (0.92) | — | |
| Diallyl Sulfide SCHEMBL8673373 | 0.74 | ALOX5 (0.92) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220400673-A1 | METHODS FOR WEED GROWTH CONTROL | Mustgrow Biologics Corp. (CA) | 2022-12-22 | — | — | US | disclosed |
| US-20060211696-A1 | IMIDAZO[1,2-b]PYRIDAZINE COMPOUND | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-09-21 | — | — | US | disclosed |
| EP-1364952-A1 | BICYCLIC NITROGENOUS FUSED-RING COMPOUND | Eisai Co., Ltd. (JP) | 2003-11-26 | — | — | EP | disclosed |
| US-4016266-A | N-Alkylthiomethylacetamidephosphorodithioate insecticides | STAUFFER CHEMICAL COMPANY (US) | 1977-04-05 | — | — | US | disclosed |