SCHEMBL2529508

SCHEMBL2529508

C=C(C)C(=O)OCCCCOC(=O)C(C)COC

nearest known ligand 0.56

Predicted protein targets (top 7)

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 0.38

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
SCHEMBL15064565 0.93 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2524806 0.88 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12793081 0.84 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10000877 0.84 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3638663 0.83 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2522937 0.83 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2608174 0.82 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL197726 0.81 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.81 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.81 TSHR (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039664-B2 Method for producing butanediol dimethacrylates EVONIK ROEHM GMBH (DE) 2011-10-18 US disclosed
US-20100197955-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES EVONIK ROEHM GMBH (DE) 2010-08-05 US disclosed
EP-2162421-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES Evonik Röhm GmbH (DE) 2010-03-17 EP disclosed
WO-2009003743-A1 METHOD FOR PRODUCING BUTANEDIOL DIMETHACRYLATES EVONIK RÖHM GMBH (DE) 2009-01-08 WO disclosed