⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210222 | 0.72 | — | — | |
| SCHEMBL9442098 | 0.72 | — | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.71 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.71 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.71 | ALOX5 (1.00) | — | |
| SCHEMBL9420730 | 0.69 | — | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.68 | — | — | |
| Diallyl Sulfide SCHEMBL11665328 | 0.68 | — | — | |
| Diallyl Sulfide SCHEMBL21385126 | 0.68 | ALOX5 (0.92) | — | |
| Diallyl Sulfide SCHEMBL4560172 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4309301-A | CORROSION RESISTANCE | THE DOW CHEMICAL COMPANY (US) | 1982-01-05 | — | — | US | claimed |
| US-4132740-A | Preparation of carboranyl sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-02 | — | — | US | claimed |
| WO-2011122805-A2 | A COMPOSITION COMPRISING AJOENE FOR PREVENTING OR TREATING A DISEASE CAUSED BY OVEREXPRESSION OF LXR-ALPHA | SNU R&DB FOUNDATION (KR) | 2011-10-06 | — | — | WO | disclosed |
| US-4133706-A | Propellants containing carboranylmethyl alkyl sulfide plasticizers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4132740-A | Preparation of carboranyl sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-02 | — | — | US | disclosed |
| US-4132740-A | Preparation of carboranyl sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-01-02 | — | — | US | disclosed |