SCHEMBL15064565

SCHEMBL15064565

C=C(C)C(=O)OCCOC(=O)C(C)COC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2529508 0.93 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4544635 0.83 THRB (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2522789 0.82 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL17784517 0.81 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2524806 0.81 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10000877 0.80 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2608171 0.80 THRB (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20144633 0.80 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16573569 0.80 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15064928 0.80 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172598-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE EVONIK ROEHM GMBH (DE) 2013-07-04 US disclosed