SCHEMBL2305261

SCHEMBL2305261

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.37
PPARD Q03181 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LPAR3 Q9UBY5 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL16862841 0.90 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2304685 0.84 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2302834 0.83 TSHR (0.46) TSHRHPGDATMPPARDHCAR2
SCHEMBL17923891 0.83 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17350475 0.82 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL24549756 0.82 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3212690 0.81 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL978404 0.80 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28248035 0.80 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21219376 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4PPARDCA12

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