SCHEMBL1890862

SCHEMBL1890862

C=C(C)C(=O)O[C](OC(=O)C(=C)C)C(OC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL22471997 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL15963 0.74 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28170047 0.74 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27714728 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL26113131 0.73
SCHEMBL17070900 0.72 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
Hydrochloric Acid SCHEMBL17099626 0.72 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL31589203 0.72 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL31462280 0.72 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL8953021 0.72 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440741-B2 Dental adhesive compositions and methods SANG JUNJIE (US) 2013-05-14 US disclosed
US-20120101183-A1 DENTAL ADHESIVE COMPOSITIONS AND METHODS SANG JUNJIE (US) 2012-04-26 US disclosed
US-8022114-B2 Dental adhesive compositions and methods SANG JUNJIE 2011-09-20 US disclosed
EP-1633303-B1 DENTAL ADHESIVE COMPOSITIONS AND METHODS DENTSPLY INT INC (US) 2011-09-14 EP disclosed
US-20110112208-A1 Dental adhesive compositions and methods SANG JUNJIE 2011-05-12 US disclosed
US-20090030101-A1 Dental adhesive compositions and methods SANG JUNJIE 2009-01-29 US disclosed
US-20070299157-A1 Dental adhesive compositions and methods SANG JUNJIE 2007-12-27 US disclosed
US-7129281-B2 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2006-10-31 US disclosed
EP-1633303-A1 DENTAL ADHESIVE COMPOSITIONS AND METHODS DENTSPLY INTERNATIONAL, INC. (US) 2006-03-15 EP disclosed
WO-2004100900-A1 DENTAL ADHESIVE COMPOSITIONS AND METHODS DENTSPLY INTERNATIONAL INC. (US) 2004-11-25 WO disclosed
US-20040229973-A1 Dental adhesive compositions and methods SANG JUNJIE (US) 2004-11-18 US disclosed
EP-0509516-B1 Dental restoration composition SANKIN IND CO (JP) 1997-03-26 EP disclosed
EP-0509516-A2 Dental restoration composition SANKIN KOGYO KABUSHIKI KAISHA (JP) 1992-10-21 EP disclosed