SCHEMBL2873522

SCHEMBL2873522

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
TSHR P16473 2/20 0.68
ATM Q13315 1/20 0.68
ALDH1A1 P00352 4/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
FAAH O00519 2/20 0.55
NR1I2 O75469 2/20 0.55
PTGS2 P35354 2/20 0.55
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
PDE4D Q08499 1/20 0.55
DGKA P23743 1/20 0.54
PRKCE Q02156 1/20 0.52
PRKCQ Q04759 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKCA P17252 1/20 0.52
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50

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
SCHEMBL17046523 0.96 TSHR (0.73) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL2866595 0.95 CYP3A4 (0.71) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL12431709 0.95 CYP3A4 (0.71) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL20969320 0.92 TSHR (0.79) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL20969319 0.92 TSHR (0.79) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL3661702 0.91 CYP3A4 (0.68) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL3661698 0.91 CYP3A4 (0.68) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL10657519 0.91 TDP1 (0.77) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL333602 0.91 TDP1 (0.77) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL28881165 0.91 TDP1 (0.77) CYP3A4TDP1TSHRATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452971-B1 Compounds containing oxygen as softeners for rubber TUDAPETROL MINERALOELERZEUGNISSE NILS HANSEN KG (DE) 2013-08-14 EP claimed
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US claimed
US-4364743-A ESTER AND MIDDLE OIL ERNER WILLIAM E 1982-12-21 US claimed
US-10246597-B2 Oil-based recording liquid SEIKO EPSON CORPORATION (JP) 2019-04-02 US disclosed
EP-2209547-B1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIV KANSAS (US) 2018-06-20 EP disclosed
US-20170121546-A1 OIL-BASED RECORDING LIQUID SEIKO EPSON CORPORATION (JP) 2017-05-04 US disclosed
US-9580574-B2 Bio-based biocide compositions and methods of preserving therewith GALATA CHEMICALS LLC (US) 2017-02-28 US disclosed
US-20150315359-A1 BIO-BASED BIOCIDE COMPOSITIONS AND METHODS OF PRESERVING THEREWITH CITIZENS BANK, N.A. 2015-11-05 US disclosed
CN-101909729-B Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2014-10-22 CN disclosed
US-8801939-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
WO-2014092704-A1 BIO-BASED BIOCIDE COMPOSITIONS AND METHODS OF PRESERVING THEREWITH GALATA CHEMICALS LLC (US) 2014-06-19 WO disclosed
US-7795193-B2 Base for electric insulating oil LION CORPORATION (JP) 2010-09-14 US disclosed
EP-2209547-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS University Of Kansas (US) 2010-07-28 EP disclosed
WO-2009061806-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIVERSITY OF KANSAS (US) 2009-05-14 WO disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed
US-20070069188-A1 Base for electric insulating oil LION CORPORATION (JP) 2007-03-29 US disclosed
EP-1662513-A1 BASE FOR ELECTRIC INSULATING OIL Lion Corporation (JP) 2006-05-31 EP disclosed
US-20030054103-A1 Curable coating composition, curable ink, printing method thereof and printed matter TOYO INK MFG. CO., LTD. (JP) 2003-03-20 US disclosed
US-4690864-A ESTERS OF UNSATURATED FATTY ACIDS AND FATTY ACIDS USED AS DISK LUBRICANTS HITACHI MAXELL, LTD. (JP) 1987-09-01 US disclosed
US-4364743-A ESTER AND MIDDLE OIL ERNER WILLIAM E 1982-12-21 US disclosed