SCHEMBL27701673

SCHEMBL27701673

C=C(C)C(=O)OCCC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9680241 0.81 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4314370 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17343034 0.80 TSHR (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17347500 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28039559 0.79 TSHR (0.52) THRBTSHRALDH1A1
SCHEMBL8473833 0.79 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22662344 0.78 THRB (0.33) THRBTSHR
SCHEMBL26002524 0.78 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13387394 0.77 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14293281 0.77 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476774-A Polymeric materials using controlled free radical initiators and methods of making 3M创新有限公司 2019-03-15 CN disclosed
CN-101164019-B Positive charge controlling resin, developing roller, and electrophotographic apparatus CANON CHEM INC 2010-12-01 CN disclosed
CN-101164019-A Positive charge controlling resin for electrophotographic functional part, developing roller, and electrophotographic apparatus CANON CHEM INC (JP) 2008-04-16 CN disclosed