SCHEMBL8518828

SCHEMBL8518828

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SLC13A3 Q8WWT9 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
SCHEMBL615661 0.93 THRB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL8519526 0.87 SLC13A3 (0.33) SLC13A3
SCHEMBL8519227 0.86 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL31207811 0.83 THRB (0.38) THRBTSHRPOLBAPEX1HTT
SCHEMBL10175680 0.83 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL8399317 0.83 SLC13A3 (0.34) THRBTSHRHTTSLC13A3
SCHEMBL17736220 0.82 THRB (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL15836486 0.82 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL4318664 0.81 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL8519549 0.81 TSHR (0.42) THRBTSHRPOLBAPEX1HTT

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-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed