SCHEMBL2302833

SCHEMBL2302833

C=C(C)C(=O)OCCCOP(=O)(CC)OCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
THRB P10828 1/20 0.49
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
PPARD Q03181 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8975539 0.90 THRB (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31454007 0.85 TSHR (0.56) TSHRTHRBALDH1A1PPARD
SCHEMBL2304752 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3690714 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27818763 0.83 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17350563 0.82 TSHR (0.52) TSHRTHRBALDH1A1PPARD
SCHEMBL14955506 0.80 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL40925 0.80 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21219376 0.79 TSHR (0.52) TSHRHTTALDH1A1PPARDCA12
SCHEMBL15486 0.78 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

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 4 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
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