SCHEMBL2304752

SCHEMBL2304752

C=C(C)C(=O)OCCCP(=O)(OCC)OCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.51
PPARD Q03181 1/20 0.44
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL27818763 0.95 TSHR (0.57) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL14955506 0.90 THRB (0.55) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL2302833 0.84 TSHR (0.51) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL8975816 0.83 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9644675 0.82 ALDH1A1 (0.52) TSHRPPARDALDH1A1CA12CA1
SCHEMBL16384701 0.81 TSHR (0.42) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL29403052 0.80 TSHR (0.47) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL8975539 0.80 THRB (0.56) TSHRTHRBPPARDPOLBAPEX1
SCHEMBL3690714 0.80 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16318842 0.79 TSHR (0.54) TSHRTHRBPPARDPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372516-B2 (Meth)acrylate phosphonic esters as adhesion promoters BASF SE (DE) 2013-02-12 US disclosed
CN-102203200-A (meth)acrylate phosphonic esters as adhesion promoters BASF SE 2011-09-28 CN disclosed
EP-2350215-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2011-08-03 EP disclosed
US-20100112362-A1 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS CIBA CORPORATION (US) 2010-05-06 US disclosed
WO-2010049322-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2010-05-06 WO disclosed