SCHEMBL4739670

SCHEMBL4739670

Cc1cc(C)cc(N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSPO P30536 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1376379 0.98 APP (0.32) APPALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11145734 0.95 APP (0.32) APPTSPOPOLBGAA
SCHEMBL8606105 0.93 APP (0.33) APPTSPOPOLBGAA
SCHEMBL9253432 0.89 APP (0.31) APP
SCHEMBL243317 0.85 CYP2C19 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSPO
SCHEMBL5523913 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19POLBGAA
SCHEMBL7532908 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19POLBGAA
SCHEMBL9551526 0.84 CYP2C19 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL396919 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C19POLBGAA
SCHEMBL29808662 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19POLBGAA

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-9897920-B2 Sensor for detecting saccharide and manufacturing method thereof and detection method of glycated hemoglobin using the same LG ELECTRONICS INC. (KR) 2018-02-20 US claimed
US-20160109370-A1 SENSOR FOR DETECTING SACCHARIDE AND MANUFACTURING METHOD THEREOF AND DETECTION METHOD OF GLYCATED HEMOGLOBIN USING THE SAME LG ELECTRONICS INC. (KR) 2016-04-21 US claimed
US-20200368740-A1 COLORIMETRIC DETECTION SENSOR COMPRISING WATER-SOLUBLE CHITOSAN DERIVATIVE GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-11-26 US disclosed
US-9903856-B2 Optical biosensor KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2018-02-27 US disclosed
US-9897920-B2 Sensor for detecting saccharide and manufacturing method thereof and detection method of glycated hemoglobin using the same LG ELECTRONICS INC. (KR) 2018-02-20 US disclosed
US-20160109370-A1 SENSOR FOR DETECTING SACCHARIDE AND MANUFACTURING METHOD THEREOF AND DETECTION METHOD OF GLYCATED HEMOGLOBIN USING THE SAME LG ELECTRONICS INC. (KR) 2016-04-21 US disclosed
US-20150111228-A1 OPTICAL BIOSENSOR KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2015-04-23 US disclosed
WO-2008085296-A1 SEAFOOD SPOILAGE INDICATOR AGENTASE, LLC (US) 2008-07-17 WO disclosed