SCHEMBL11213009

SCHEMBL11213009

C=C(C)C(=O)OCCCOCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
THRB P10828 1/20 0.50
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
PLA2G2C Q5R387 2/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL4645277 0.90 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4644631 0.89 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7628509 0.87 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10579270 0.87 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10314654 0.85 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5702882 0.85 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17430255 0.84 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12624218 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2524806 0.83 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL997770 0.83 TSHR (0.54) 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
CN-100405220-C Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2008-07-23 CN disclosed
CN-1980962-A Acid-sensitive copolymer and use thereof MITSUI CHEMICALS INC (JP) 2007-06-13 CN disclosed
CN-1630835-A Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2005-06-22 CN disclosed
CN-1207633-C Positive film type light sensitiveness anticorrosion additive compsn. and application thereof MITSUI CHEMICALS INC (JP) 2005-06-22 CN disclosed
CN-1397841-A Positive film type light sensitiveness anticorrosion additive compsn. and application thereof MITSUI CHEMICALS INC (JP) 2003-02-19 CN disclosed
US-4405773-A Hydrophylic contact lenses and methods for making same SCHERING CORPORATION (US) 1983-09-20 US disclosed