SCHEMBL2882858

SCHEMBL2882858

C=C(C)C(=O)OCCC1(CCC)COC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2880741 0.91 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL244964 0.89 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2880930 0.86 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL798599 0.83 THRB (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2885572 0.82 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27932384 0.79 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL156553 0.79 THRB (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2882617 0.77 TSHR (0.46) TSHRTHRBALDH1A1POLB
SCHEMBL2882331 0.76 THRB (0.42) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4644189 0.76 THRB (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed