Diallyldisulfide

Diallyldisulfide

SCHEMBL668587

C=CCSSCC=C.Oc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
TRPA1 O75762 2/20 0.50
CYP3A4 P08684 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GLA P06280 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
TSHR P16473 2/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Diallyldisulfide SCHEMBL28956854 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTRPA1CYP3A4CA12
Diallyl Sulfide SCHEMBL11645334 0.86 CA12 (0.50) ALDH1A1HPGDCA12CA1CA2
Diallyl Sulfide SCHEMBL1449847 0.86 CA12 (0.50) ALDH1A1HPGDCA12CA1CA2
Diallyl Sulfide SCHEMBL7949631 0.84 CA12 (0.48) ALDH1A1HPGDCA12CA1CA2
Diallyl Sulfide SCHEMBL1979798 0.84 CA12 (0.48) ALDH1A1HPGDCA12CA1CA2
Biphenyl SCHEMBL9763702 0.81 ALDH1A1 (0.55) ALDH1A1HPGDTRPA1CYP3A4ALOX15
Phenol SCHEMBL10569692 0.78 CA12 (0.58) ALDH1A1CA12CA1CA2GLA
Phenol SCHEMBL11597390 0.78 CA12 (0.58) ALDH1A1CA12CA1CA2GLA
Phenol SCHEMBL6846541 0.76 CA12 (0.55) ALDH1A1CA12CA1CA2GLA
Phenol SCHEMBL8723854 0.76 CA12 (0.55) ALDH1A1CYP3A4CA12CA1CA2

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 822 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534420-B Asphalt pavement repair material 山东新广恒节能科技有限公司 2024-03-12 CN claimed
CN-117534420-A Asphalt pavement repair material 山东新广恒节能科技有限公司 2024-02-09 CN claimed
WO-2023118271-A1 LIGNIN CROSSLINKED WITH TRIGLYCERIDE REN FUEL K2B AB (SE) 2023-06-29 WO claimed
EP-4201946-A1 LIGNIN CROSSLINKED WITH TRIGLYCERIDE Ren Fuel K2B AB (SE) 2023-06-28 EP claimed
CN-116333679-A Solvent-free asphalt coiled material cold adhesive, preparation and high-adhesion waterproof system and construction method 北京东方雨虹防水技术股份有限公司 2023-06-27 CN claimed
EP-3974470-A1 RUBBER COMPOSITION FOR AN INNER LINER FOR PNEUMATIC VEHICLE TYRES SunCoal Industries GmbH (DE) 2022-03-30 EP claimed
US-10550256-B2 Elastomer formulation using a combination of polymers to create ozone resistance without addition of wax THE PULLMAN COMPANY (US) 2020-02-04 US claimed
US-20190315958-A1 Elastomer Compositions and Automotive Vibration-Damping Devices Made Therewith EXXONMOBIL CHEMICAL PATENTS INC. 2019-10-17 US claimed
CN-110076006-A A method of extracting pyrite from phosphorus tailing 湖北省黄麦岭磷化工有限责任公司 2019-08-02 CN claimed
CN-107100380-B Old roof waterproof renovation method and exposed conveying appliance weather resisting colorful water-repellent paint used 江阴正邦化学品有限公司 2019-06-18 CN claimed
CN-1138600-A Silica reinforced rubber composition and use in tires GOODYEAR TIRE & RUBBER (US) 1996-12-25 CN claimed
CN-1018796-B SOLID VULCANIZING AGNET FOR COBALT-MOLYBDENUM SERIES CATALYST VULCANIZATION AND PREPARATION THEREOF CHEMICAL INST HUBEI PROV (CN) 1992-10-28 CN claimed
US-5102958-A Low density EXXON CHEMICAL PATENTS INC. (US) 1992-04-07 US claimed
EP-0434458-A2 Partially crosslinked elastomeric polymers and process for producing the same EXXON CHEMICAL PATENTS INC. (US) 1991-06-26 EP claimed
US-4997889-A Alkylphenol disulfide, aromatic guanidine THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-03-05 US claimed
US-4929688-A Cure system for open steam curing of mineral-loaded chlorobutyl compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-05-29 US claimed
US-4873290-A MIXTURE OF ALKYLPHENOL DISULFIDE AND A GUANIDINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-10-10 US claimed
EP-0017751-A1 Process for the production of graft copolymers of polyphenylene oxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-29 EP claimed
US-4146689-A SULFUR AND SULFUR-DONOR SANYO TRADING CO., LTD. (JP) 1979-03-27 US claimed
US-4016047-A VACUUM DISTILLATION WITH A FREE-RADICAL ACTING COLOR INHIBITOR VULCAN MATERIALS COMPANY (US) 1977-04-05 US claimed