SCHEMBL4487106

SCHEMBL4487106

C=C(C)C(=O)OCCN(COC)COC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA4 P43681 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
SCHEMBL1894991 0.87 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL746457 0.86 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28273630 0.81 THRB (0.55) THRBTSHRALDH1A1POLBCHRM2
Methacrylic Acid SCHEMBL491388 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14874 0.81 THRB (0.55) THRBTSHRALDH1A1POLBCHRM2
SCHEMBL10697522 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9485408 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13780216 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1250799 0.79 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL345460 0.79 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482399-B2 Structurally viscose clear lacquer slurry, method for the production and use thereof BASF COATINGS AG (DE) 2009-01-27 US disclosed
US-7153900-B2 Structurally viscose clear lacquer slurry BASF COATINGS AG (DE) 2006-12-26 US disclosed
US-7132472-B2 Intrinsically-viscous clear-lacquer slurry, method for production and use thereof BASF COATINGS AG (DE) 2006-11-07 US disclosed
US-20060211813-A1 Phosphonic acid-modified microgel dispersion BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-09-21 US disclosed
US-20040242742-A1 Structurally viscose clear lacquer slurry BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-12-02 US disclosed
US-20040171737-A1 Intrinsically-viscous clear-lacquer slurry, method for production and use thereof BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
US-20040157982-A1 Structurally viscose clear lacquer slurry, method for the production and use thereof BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-08-12 US disclosed