SCHEMBL3664640

SCHEMBL3664640

C=CC(=O)OCCC[Si](CCCOC(=O)C=C)(OC)O[Si](OC)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.36
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL5165890 0.89 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL598736 0.86 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6651184 0.84 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3770946 0.84 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16425727 0.84 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL534067 0.84 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28183076 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1061253 0.83 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6151933 0.83 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7270699 0.81 TSHR (0.50) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021484-A1 ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF Bayer Inc. (CA) 2000-07-26 EP claimed
WO-1999015583-A1 ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF BAYER INC. (CA) 1999-04-01 WO claimed
EP-2220156-A1 HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS Pacific Polymers Pty Ltd (AU) 2010-08-25 EP disclosed
WO-2009059382-A1 HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS PACIFIC POLYMERS PTY LTD (AU) 2009-05-14 WO disclosed
EP-1131381-A1 PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE IN POLYMER DISPERSIONS Bayer Inc. (CA) 2001-09-12 EP disclosed
EP-1021484-A1 ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF Bayer Inc. (CA) 2000-07-26 EP disclosed
WO-2000031180-A1 PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE IN POLYMER DISPERSIONS BAYER INC. (CA) 2000-06-02 WO disclosed
EP-0983317-A1 PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE AS FILLERS IN POLYMER MASTERBATCHES Bayer Inc. (CA) 2000-03-08 EP disclosed
WO-1999015583-A1 ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF BAYER INC. (CA) 1999-04-01 WO disclosed
WO-1998053004-A1 PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE AS FILLERS IN POLYMER MASTERBATCHES BAYER INC. (CA) 1998-11-26 WO disclosed