SCHEMBL8519227

SCHEMBL8519227

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL1415468 0.93 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL534391 0.90 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL534646 0.90 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL8660529 0.88 TET2 (0.32)
SCHEMBL8518828 0.86 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL8399751 0.84 MEN1 (0.31)
SCHEMBL28255973 0.83 TSHR (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL1536985 0.83 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL13024791 0.83 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL3843423 0.82 THRB (0.48) 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