SCHEMBL2303000

SCHEMBL2303000

C=CC(=O)OCCCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 3/20 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
SCHEMBL22117149 0.90 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28016171 0.83 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2303007 0.82 ATM (0.42) TSHRALDH1A1CYP3A4HPGDATM
SCHEMBL29403092 0.81 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2304685 0.80 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2303003 0.79 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL8089941 0.78 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL308812 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL42398 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26187833 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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