SCHEMBL537010

SCHEMBL537010

C=C(C)C(=O)OC[SiH2]C(OCCC)OCCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL580729 0.86 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3914287 0.85 TSHR (0.41) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL28074683 0.82 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22115856 0.80 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL396764 0.79 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15864750 0.77 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL3915024 0.76 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL140539 0.75 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
Acrylic Acid Methyl Ester SCHEMBL28074682 0.75 THRB (0.40) TSHRTHRBALDH1A1
SCHEMBL65281 0.75 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1

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
EP-2941460-A1 ONE -COMPONENT, CURABLE COATING COMPOSITION, PROCESSES FOR MAKING AND USING THEM, AND COATINGS AND ARTICLES PREPARED WITH THEM BASF Coatings GmbH (DE) 2015-11-11 EP disclosed
WO-2014106552-A1 ONE -COMPONENT, CURABLE COATING COMPOSITION, PROCESSES FOR MAKING AND USING THEM, AND COATINGS AND ARTICLES PREPARED WITH THEM BASF COATINGS GMBH (DE) 2014-07-10 WO disclosed
EP-2414466-A1 MOISTURE-CURING COATING COMPOSITIONS BASED ON APROTIC SOLVENTS, COMPRISING BINDERS HAVING ALKOXYSILANE GROUPS, AND THE USE THEREOF BASF Coatings GmbH (DE) 2012-02-08 EP disclosed
WO-2010112106-A1 MOISTURE-CURING COATING COMPOSITIONS BASED ON APROTIC SOLVENTS, COMPRISING BINDERS HAVING ALKOXYSILANE GROUPS, AND THE USE THEREOF BASF COATINGS AG (DE) 2010-10-07 WO disclosed