SCHEMBL5160794

SCHEMBL5160794

CCCCCOC(=O)CCCS

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.64
NAAA Q02083 1/20 0.59
DNM1 Q05193 1/20 0.58
HTR2C P28335 1/20 0.56
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.49
PAM P19021 2/20 0.48
EPHX2 P34913 3/20 0.48
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL11243144 0.98 DGKA (0.68) DGKANAAADNM1HTR2CPRSS1
SCHEMBL11705499 0.98 DGKA (0.68) DGKANAAADNM1HTR2CPRSS1
SCHEMBL11704352 0.98 DGKA (0.68) DGKANAAADNM1HTR2CPRSS1
SCHEMBL11176057 0.98 DGKA (0.68) DGKANAAADNM1HTR2CPRSS1
SCHEMBL11412805 0.98 DGKA (0.68) DGKANAAADNM1HTR2CPRSS1
SCHEMBL11317511 0.96 DGKA (0.66) DGKANAAADNM1HTR2CPRSS1
SCHEMBL6736096 0.94 DGKA (0.61) DGKANAAADNM1HTR2CPRSS1
SCHEMBL2864347 0.92 DGKA (0.71) DGKANAAADNM1HTR2CPRSS1
SCHEMBL6547568 0.92 DGKA (0.71) DGKANAAADNM1HTR2CPRSS1
SCHEMBL2864363 0.92 DGKA (0.71) DGKANAAADNM1HTR2CPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041186-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-09 US claimed
US-4007287-A Flavoring with (allyl)(2-methyl-3-furyl) sulfide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-02-08 US claimed
EP-1276391-B1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2007-03-07 EP disclosed
EP-1276391-A4 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2005-11-09 EP disclosed
US-6899911-B2 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same INTERNATIONAL FLAVORS & FRAGRANCES, INC. 2005-05-31 US disclosed
EP-1276391-A1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME Bush Boake Allen Inc. (US) 2003-01-22 EP disclosed
US-20020090435-A1 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-07-11 US disclosed
WO-2001076389-A1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-10-18 WO disclosed
EP-0438994-B1 Process for preparing sulfonyl acids MONSANTO CO (US) 1995-04-19 EP disclosed
EP-0438994-A1 Process for preparing sulfonyl acids Monsanto Company (US) 1991-07-31 EP disclosed
US-4966731-A Process for preparing sulfonyl acids MONSANTO COMPANY (US) 1990-10-30 US disclosed
US-4110444-A MODIFY THE STRENGTH OF BIOLOGICAL MEMBRANES THE CALIFORNIA POLYTECHNIC STATE UNIVERSITY FOUNDATION (US) 1978-08-29 US disclosed
US-4041186-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-09 US disclosed
US-4007287-A Flavoring with (allyl)(2-methyl-3-furyl) sulfide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-02-08 US disclosed
US-3988510-A 3-Furyl sulfides and foodstuff flavor compositions comprising same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-26 US disclosed