SCHEMBL1713073

SCHEMBL1713073

COc1cc(SCl)cc(SCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP1A1 P04798 6/20 0.39
CYP1B1 Q16678 6/20 0.39
CYP3A4 P08684 3/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2E1 P05181 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP4B1 P13584 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP3A5 P20815 2/20 0.34
CYP2A7 P20853 2/20 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
SCHEMBL3786357 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL8487166 0.82 AHR (0.36) ALDH1A1IDO1AHR
SCHEMBL1713113 0.77 ACHE (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL5924005 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL1713002 0.74 CA1 (0.58) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL9397847 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL1203660 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL5100487 0.72 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL9487145 0.72 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
Hydrochloric Acid SCHEMBL4115862 0.72 CA1 (0.55) ALDH1A1CYP1A1CYP1B1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11500247-B2 Liquid crystal sensor PLATYPUS TECHNOLOGIES, LLC (US) 2022-11-15 US disclosed
US-20200409221-A1 LIQUID CRYSTAL SENSOR PLATYPUS TECHNOLOGIES, LLC 2020-12-31 US disclosed
US-20170212088-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2017-07-27 US disclosed
US-9575037-B2 Detection of gas-phase analytes using liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2017-02-21 US disclosed
US-20160274084-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC 2016-09-22 US disclosed
US-9341576-B2 Detection of vapor phase compounds by changes in physical properties of a liquid crystal PLATYPUS TECHNOLOGIES, LLC (US) 2016-05-17 US disclosed
US-20160018371-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2016-01-21 US disclosed
WO-2014165196-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC (US) 2014-10-09 WO disclosed
US-20120288951-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2012-11-15 US disclosed
US-8178355-B2 Detection of vapor phase compounds by changes in physical properties of a liquid crystal PLATYPUS TECHNOLOGIES, LLC. (US) 2012-05-15 US disclosed
EP-2344879-A2 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL Platypus Technologies, LLC (US) 2011-07-20 EP disclosed
US-20100093096-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2010-04-15 US disclosed
WO-2010031047-A2 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2010-03-18 WO disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed