SCHEMBL2201804

SCHEMBL2201804

C=CC(=O)OCC(C)OO

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.73
HPGD P15428 2/20 0.44
ALDH1A1 P00352 6/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 3/20 0.37

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
SCHEMBL17890135 0.85 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28192845 0.85 TSHR (1.00) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16448 0.85
SCHEMBL17159686 0.83 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268127 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL304996 0.83 TSHR (0.95) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL27467016 0.83 TSHR (0.95) TSHRHPGDALDH1A1TP53HIF1A
Fluoride SCHEMBL27952802 0.83 TSHR (0.95) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530017-B2 Method for preparing styrene-butadiene copolymer using reactive emulsifier and styrene-butadiene copolymer prepared by the same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-09-10 US claimed
US-8524849-B2 Hydrophilic organofunctional silicone copolymers WACKER CHEMIE AG (DE) 2013-09-03 US claimed
US-20120164363-A1 Method for Preparing Styrene-Butadiene Copolymer Using Reactive Emulsifier and Styrene-Butadiene Copolymer Prepared By the Same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-28 US claimed
US-20110163254-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2011-07-07 US claimed
US-20080207825-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2008-08-28 US claimed
JP-9087339-A None JP disclosed
US-10265935-B2 Product comprising packaging material comprising multilayer structure KURARAY CO., LTD. (JP) 2019-04-23 US disclosed
EP-2955019-B1 PRODUCT PROVIDED WITH PACKAGING MATERIAL CONTAINING MULTILAYER STRUCTURE KURARAY CO (JP) 2018-06-13 EP disclosed
EP-2955020-B1 ELECTRONIC DEVICE KURARAY CO (JP) 2018-05-16 EP disclosed
EP-3135271-A1 POLYMERIZABLE MONOMER COMPOSITION FOR DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2017-03-01 EP disclosed
US-20150373858-A1 ELECTRONIC DEVICE KURARAY CO., LTD. (JP) 2015-12-24 US disclosed
US-20150367614-A1 PRODUCT COMPRISING PACKAGING MATERIAL COMPRISING MULTILAYER STRUCTURE KURARAY CO., LTD. (JP) 2015-12-24 US disclosed
US-8530017-B2 Method for preparing styrene-butadiene copolymer using reactive emulsifier and styrene-butadiene copolymer prepared by the same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-09-10 US disclosed
US-8524849-B2 Hydrophilic organofunctional silicone copolymers WACKER CHEMIE AG (DE) 2013-09-03 US disclosed
US-20120164363-A1 Method for Preparing Styrene-Butadiene Copolymer Using Reactive Emulsifier and Styrene-Butadiene Copolymer Prepared By the Same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-28 US disclosed
US-20110163254-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2011-07-07 US disclosed
US-20080217590-A1 PHOTOCHROMIC MATERIAL AND PROCESS FOR ITS PREPARATION BAYER MATERIALSCIENCE AG (DE) 2008-09-11 US disclosed
JP-H0987339-A POLYMERIZABLE POLYOL COMPOSITION AND PRODUCTION OF FLAME-RETARDED POLYURETHANE SANYO CHEM IND LTD 1997-03-31 JP disclosed
US-4038257-A HIGH STRENGTH, CORROSION RESISTANCE TOYO BOSEKI KABUSHIKI KAISHA (JA) 1977-07-26 US disclosed
JP-H00987339-A 0001-01-01 JP disclosed