SCHEMBL289084

SCHEMBL289084

C=C(CCOCCOCCOCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
EPHX2 P34913 2/20 0.33
TET2 Q6N021 4/20 0.32
THRA P10827 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30
TP53 P04637 1/20 0.30
HIF1A Q16665 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
SCHEMBL79927 1.00 THRB (0.47) THRBALDH1A1TSHREPHX2TET2
SCHEMBL43126 0.96 THRB (0.45) THRBALDH1A1TSHREPHX2TET2
SCHEMBL11124813 0.89 TET2 (0.36) THRBALDH1A1TSHRTET2MEN1
SCHEMBL8355965 0.89 TET2 (0.36) THRBALDH1A1TSHRTET2MEN1
SCHEMBL7256040 0.88 THRB (0.44) THRBALDH1A1TSHREPHX2KDM4E
SCHEMBL33661 0.88 THRB (0.44) THRBALDH1A1TSHREPHX2KDM4E
SCHEMBL289015 0.88 THRB (0.44) THRBALDH1A1TSHREPHX2KDM4E
SCHEMBL9436946 0.87 TET2 (0.37) ALDH1A1TSHRTET2TET3TET1
SCHEMBL30142925 0.85 TSHR (0.58) THRBALDH1A1TSHREPHX2SMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL9050787 0.85 TSHR (0.41) THRBALDH1A1TSHREPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427421-A1 METHOD AND SYSTEM FOR PURIFYING MONOMERS Evonik Röhm GmbH (DE) 2012-03-14 EP claimed
WO-2010127909-A1 METHOD AND SYSTEM FOR PURIFYING MONOMERS EVONIK RÖHM GMBH (DE) 2010-11-11 WO claimed
EP-2427421-A1 METHOD AND SYSTEM FOR PURIFYING MONOMERS Evonik Röhm GmbH (DE) 2012-03-14 EP disclosed
WO-2011088929-A1 (METH)ACRYLATE POLYMERS FOR IMPROVING THE VISCOSITY INDEX EVONIK ROHMAX ADDITIVES GMBH (DE) 2011-07-28 WO disclosed
WO-2010127909-A1 METHOD AND SYSTEM FOR PURIFYING MONOMERS EVONIK RÖHM GMBH (DE) 2010-11-11 WO disclosed
CN-1537149-A Ink jet ink compositions containing fluorochemical surfactants 3M 2004-10-13 CN disclosed