⚠ 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 SCHEMBL45800 | 0.83 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.83 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.83 | ALOX5 (1.00) | — | |
| SCHEMBL7529160 | 0.83 | — | — | |
| Diallyl Sulfide SCHEMBL8825985 | 0.80 | — | — | |
| Diallyl Sulfide SCHEMBL5175822 | 0.79 | — | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.79 | — | — | |
| Diallyl Sulfide SCHEMBL7130288 | 0.79 | — | — | |
| Diallyl Sulfide SCHEMBL11665328 | 0.79 | — | — | |
| Diallyl Sulfide SCHEMBL21385126 | 0.79 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367036-B1 | SUBSTITUTED 3-AMINOSYDNONIMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | claimed |
| EP-0367036-A2 | Substituted 3-aminosydnonimines, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1990-05-09 | — | — | EP | claimed |
| US-3992392-A | Synthesis of indoles from anilines and intermediates therein | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1976-11-16 | — | — | US | claimed |
| US-8309584-B2 | Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists | GREEN CROSS CORPORATION (KR) | 2012-11-13 | — | — | US | disclosed |
| US-20110178140-A1 | SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | GREEN CROSS CORPORATION (KR) | 2011-07-21 | — | — | US | disclosed |
| WO-2010035915-A1 | SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | GREEN CROSS CORPORATION (KR) | 2010-04-01 | — | — | WO | disclosed |
| EP-0367036-B1 | SUBSTITUTED 3-AMINOSYDNONIMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |
| US-5006540-A | Cardiotonic agents | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0367036-A2 | Substituted 3-aminosydnonimines, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1990-05-09 | — | — | EP | disclosed |
| EP-0107928-B1 | VINYLTHIOACETAMIDO OXACEPHALOSPORIN DERIVATIVES, AND INTERMEDIATES THEREFOR, THEIR PREPARATION, FORMULATIONS CONTAINING THE SAME AND THEIR ANTIBACTERIAL USE | SHIONOGI & CO., LTD. (JP) | 1988-01-07 | — | — | EP | disclosed |
| US-4529721-A | Human and veterinary bactericide | SHIONOGI & CO., LTD. (JP) | 1985-07-16 | — | — | US | disclosed |
| US-4297516-A | PROSTAGLANDINS | AMERICAN CYANAMID COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4101583-A | Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-07-18 | — | — | US | disclosed |
| US-4080341-A | Carbazolenine and indole compounds | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-03-21 | — | — | US | disclosed |
| US-4067875-A | Certain N-phenyl or N-pyridyl aza sulfonium salts | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-01-10 | — | — | US | disclosed |
| US-3992392-A | Synthesis of indoles from anilines and intermediates therein | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1976-11-16 | — | — | US | disclosed |