Tioctilate

Tioctilate

SCHEMBL2109522

CCCCCCCCSC(=O)c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
NAAA Q02083 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 2/20 0.45
PTGS2 P35354 2/20 0.44
MEN1 O00255 1/20 0.44
MAOB P27338 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL24274203 1.00 CES2 (0.53) CES2CES1NAAAALDH1A1NPSR1
SCHEMBL10797615 1.00 CES2 (0.53) CES2CES1NAAAALDH1A1NPSR1
SCHEMBL31026390 1.00 CES2 (0.53) CES2CES1NAAAALDH1A1NPSR1
SCHEMBL6057406 0.98 CES2 (0.51) CES2CES1NAAAALDH1A1NPSR1
SCHEMBL6057163 0.93 ALDH1A1 (0.57) CES2CES1NAAAALDH1A1NPSR1
SCHEMBL31131464 0.89 KMT2A (0.49) CES2CES1ALDH1A1NPSR1KMT2A
SCHEMBL6057351 0.85 KMT2A (0.50) CES2CES1ALDH1A1NPSR1KMT2A
SCHEMBL7909243 0.85 KMT2A (0.49) CES2CES1ALDH1A1NPSR1KMT2A
SCHEMBL22667791 0.84 L3MBTL1 (0.53) CES2CES1ALDH1A1MAPTTHRB
SCHEMBL29192009 0.84 L3MBTL1 (0.53) CES2CES1ALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
EP-3834828-B1 COMPOSITION COMPRISING A THIAMINE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF VASCULAR OR CARDIAC VALVE CALCIFICATION KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2022-06-08 EP disclosed
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed
US-11191719-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2021-12-07 US disclosed
US-10463611-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2019-11-05 US disclosed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US disclosed
US-20140154313-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2014-06-05 US disclosed
EP-2717860-A1 CONTROLLED ABSORPTION WATER-SOLUBLE PHARMACEUTICALLY ACTIVE ORGANIC COMPOUND FORMULATION FOR ONCE-DAILY ADMINISTRATION STI Pharma, LLC (US) 2014-04-16 EP disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 US disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
US-4041171-A Octyl thiobenzoate used as an acaricide SOCIETE D'ETUDES ET DE REALISATIONS SCIENTIFIQUES EN ABREGE S.E.R.E.S.C.I.S.P.R.L. (BE) 1977-08-09 US disclosed
US-4041171-A Octyl thiobenzoate used as an acaricide SOCIETE D'ETUDES ET DE REALISATIONS SCIENTIFIQUES EN ABREGE S.E.R.E.S.C.I.S.P.R.L. (BE) 1977-08-09 US disclosed