SCHEMBL4632373

SCHEMBL4632373

C=C(C)C(=O)OCCOCCOC(COCC)CC(=C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 4/20 0.40
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10355752 0.91 THRB (0.47) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL1179050 0.89 THRB (0.49) THRBTSHRALDH1A1
SCHEMBL7545167 0.88 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2407775 0.84 THRB (0.43) THRBTSHR
Methacrylic Acid SCHEMBL5707433 0.84 THRB (0.43) THRBTSHR
Methacrylic Acid SCHEMBL2504362 0.83 THRB (0.42) THRBTSHRALDH1A1TDP1
SCHEMBL15018623 0.82 THRB (0.46) THRBTSHR
SCHEMBL996774 0.79 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11751848 0.78 THRB (0.45) THRBTSHR
SCHEMBL7065612 0.78 THRB (0.36) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924656-A1 INKJET INK E.I.Du pont de nemours and company (US) 2008-05-28 EP disclosed
WO-2007024834-A1 INKJET INK E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-03-01 WO disclosed