Diallylsulfone

Diallylsulfone

SCHEMBL5866729

C=CCS(=O)(=O)CC=C.CCOCC.Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
ESR1 P03372 6/20 0.35
ESR2 Q92731 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HSD17B1 P14061 2/20 0.34
LTA4H P09960 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
ENPP2 Q13822 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ERN1 O75460 1/20 0.32

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
Diallylsulfone SCHEMBL4063365 0.80
Ether SCHEMBL371586 0.78 ESR1 (0.58) KMT2AESR1ESR2CA12CA1
Ether SCHEMBL6575659 0.77 KMT2A (0.40) KMT2AESR1ESR2CA12CA1
Hydroquinone SCHEMBL60032 0.72 LTA4H (0.52) KMT2AESR1ESR2CA12CA1
Hydroquinone SCHEMBL8536783 0.72 LTA4H (0.52) KMT2AESR1ESR2CA12CA1
Hydroquinone SCHEMBL925171 0.72 LTA4H (0.52) KMT2AESR1ESR2CA12CA1
Hydroquinone SCHEMBL411964 0.71 LTA4H (0.41) KMT2AESR1ESR2CA12CA1
Ether SCHEMBL1897483 0.71 MMP3 (0.65) KMT2AESR1ESR2HSD17B1ABL1
Ether SCHEMBL3678899 0.71 MIF (0.38) KMT2AESR1ESR2CA12CA1
Ether SCHEMBL2211328 0.70 CYP3A4 (0.54) ESR1ESR2CA14LTA4HABL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049388-B2 Process for manufacturing an α-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2006-05-23 US claimed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
US-6646102-B2 Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts DOW GLOBAL TECHNOLOGIES INC. 2003-11-11 US claimed
US-20030105268-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-06-05 US claimed
JP-2002517387-A 2002-06-18 JP claimed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO claimed