SCHEMBL5852791

SCHEMBL5852791

C=C(C)C(=O)OCCOP(=O)(O)OCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.39
BTN3A1 O00481 1/20 0.39
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RY10 O00398 4/20 0.32
GPR34 Q9UPC5 2/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 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
SCHEMBL15194 0.93 THRB (0.55) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL31091982 0.93 THRB (0.55) THRBTSHRALDH1A1BTN3A1POLB
Phosphoric Acid SCHEMBL11307097 0.91 THRB (0.53) THRBTSHRALDH1A1BTN3A1POLB
Ammonia Solution, Strong SCHEMBL18140715 0.91 THRB (0.53) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL28264929 0.90 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28110717 0.90 TSHR (0.57) THRBTSHRALDH1A1BTN3A1POLB
Bromoethane SCHEMBL3220997 0.90 THRB (0.53) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL1615562 0.90 THRB (0.58) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL4797967 0.88 THRB (0.59) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL6833452 0.88 THRB (0.50) THRBTSHRALDH1A1BTN3A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013176292-A2 POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER CANON KABUSHIKI KAISHA (JP) 2013-11-28 WO disclosed
US-7109253-B1 Dielectric, radiation-curable coating compositions DSM N.V. (NL) 2006-09-19 US disclosed
US-6506814-B2 Good insulating properties in extreme conditions DSM N.V. (NL) 2003-01-14 US disclosed
US-6355599-B1 SUPERCONDUCTING ARTICLE COATED WITH CURED COMPOSITION COMPRISING (METH)ACRYLATE TERMINATED URETHANE OLIGOMER, (METH)ACRYLATE FUNCTIONALIZED ACID ADHESION PROMOTER, AND (METH)ACRYLATE DILUENT DSM DESOTECH, INC. 2002-03-12 US disclosed
US-20020004537-A1 DIELECTRIC, RADIATION-CURABLE COATING COMPOSITIONS DSM IP ASSETS B.V. (NL) 2002-01-10 US disclosed
EP-1086471-A1 DIELECTRIC RADIATION-CURABLE COATING COMPOSITIONS DSM N.V. (NL) 2001-03-28 EP disclosed
US-6021338-A ACRYLATED POLYURETHANE OLIGOMER PROTECTIVE COATINGS DSM DESOTECH INC. (US) 2000-02-01 US disclosed
WO-1999057733-A1 DIELECTRIC RADIATION-CURABLE COATING COMPOSITIONS DSM N.V. (NL) 1999-11-11 WO disclosed
EP-0935804-A1 DIELECTRIC, RADIATION CURABLE COATING COMPOSITIONS AND METAL CONDUCTORS COATED WITH SUCH COATING DSM N.V. (NL) 1999-08-18 EP disclosed
WO-1998019313-A1 DIELECTRIC, RADIATION CURABLE COATING COMPOSITIONS AND METAL CONDUCTORS COATED WITH SUCH COATING DSM N.V. (NL) 1998-05-07 WO disclosed