SCHEMBL3078233

SCHEMBL3078233

C=C(C)C(=O)OCC(O)COC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CYP1A2 P05177 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 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
SCHEMBL94906 0.90 TSHR (0.68) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL19998240 0.88 TSHR (0.65) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL3988354 0.87 TSHR (0.55) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL347487 0.84 TSHR (0.61) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL14330398 0.84 TSHR (0.61) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL5535254 0.84 TSHR (0.61) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL3412123 0.84 TSHR (0.61) TSHRSMN1; SMN2LMNATHRBALDH1A1
SCHEMBL1574109 0.82 TSHR (0.59) TSHRLMNATHRBALDH1A1TDP1
SCHEMBL4074519 0.82 TSHR (0.59) TSHRCYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL17212938 0.82 TSHR (0.59) TSHRCYP1A2SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020148190-A1 HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING BASF SE (DE) 2020-07-23 WO disclosed
EP-3680274-A1 HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING BASF SE (DE) 2020-07-15 EP disclosed
EP-2016137-B1 SOLID RESIN-CROSSLINKER MIXTURE FOR USE IN AQUEOUS COATINGS BASF COATINGS GMBH (DE) 2015-09-23 EP disclosed
EP-1861469-B1 PIGMENT DISPERSANT, METHOD OF MAKING COATING COMPOSITIONS, AND COATING COMPOSITIONS BASF COATINGS GMBH (DE) 2014-05-07 EP disclosed
US-7842177-B2 Solid pigmented resin-crosslinker mixture for use in aqueous coatings BASF COATINGS GMBH (DE) 2010-11-30 US disclosed
US-7790011-B2 Solid resin-crosslinker mixture for use in aqueous coatings BASF COATINGS GMBH (DE) 2010-09-07 US disclosed
EP-2016137-A2 SOLID RESIN-CROSSLINKER MIXTURE FOR USE IN AQUEOUS COATINGS BASF CORPORATION (US) 2009-01-21 EP disclosed
US-20080272005-A1 SOLID PIGMENTED RESIN-CROSSLINKER MIXTURE FOR USE IN AQUEOUS COATINGS BASF CORPORATION (US) 2008-11-06 US disclosed
US-7417102-B2 Pigment dispersant, method of making coating compositions, and coating compositions BASF CORPORATION (US) 2008-08-26 US disclosed
EP-1861469-A1 PIGMENT DISPERSANT, METHOD OF MAKING COATING COMPOSITIONS, AND COATING COMPOSITIONS Basf Corporation (US) 2007-12-05 EP disclosed
US-20070270526-A1 SOLID RESIN-CROSSLINKER MIXTURE FOR USE IN AQUEOUS COATINGS BASF CORPORATION (US) 2007-11-22 US disclosed
WO-2007130856-A2 SOLID RESIN-CROSSLINKER MIXTURE FOR USE IN AQUEOUS COATINGS BASF CORPORATION (US) 2007-11-15 WO disclosed
US-20070062412-A1 PIGMENT DISPERSANT, METHOD OF MAKING COATING COMPOSITIONS, AND COATING COMPOSITIONS BASF CORPORATION (US) 2007-03-22 US disclosed
US-20060217485-A1 Pigment dispersant, method of making coating compositions, and coating compositions BASF CORPORATION (US) 2006-09-28 US disclosed
WO-2006102341-A1 PIGMENT DISPERSANT, METHOD OF MAKING COATING COMPOSITIONS, AND COATING COMPOSITIONS BASF CORPORATION (US) 2006-09-28 WO disclosed