SCHEMBL4640880

SCHEMBL4640880

C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=C(C)C(=O)OCCCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.35
FAAH O00519 1/20 0.34
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 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
SCHEMBL24963 0.95 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1898441 0.93 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4593744 0.93 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
1,6-Hexanediol SCHEMBL14343519 0.92 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10603114 0.92 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3503120 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL870590 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31636152 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31636159 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31636173 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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
US-3966847-A Contact lens from hydrophilic gel polymers of polyvinylpyrrolidone and hydroxyalkyl methacrylate SEIDERMAN MAURICE 1976-06-29 US claimed
EP-1302515-B1 Coating composition based on a bimodal emulsion copolymer, methods of blocking stains, improving hiding, improving block resistance and improving shear stability ROHM & HAAS (US) 2008-08-06 EP disclosed
US-6818697-B2 AQUEOUS SOLUTIONS; ANTISOILANT ROHM AND HAAS COMPANY 2004-11-16 US disclosed
US-20030073778-A1 Coating composition ROHM AND HAAS COMPANY 2003-04-17 US disclosed
EP-1302515-A2 Coating composition based on a bimodal emulsion copolymer, methods of blocking stains, improving hiding, improving block resistance and improving shear stability ROHM AND HAAS COMPANY (US) 2003-04-16 EP disclosed
EP-0052776-B1 TWO-COAT METALLIC LACQUERING AND PROCESS FOR PREPARING IT BASF Lacke + Farben AG (DE) 1984-12-12 EP disclosed