SCHEMBL20215641

SCHEMBL20215641

C=C(C)C(=O)OCCOC(=O)C(F)(C(C)C)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17779705 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17775481 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2632792 0.80 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26002528 0.80 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4568739 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13557337 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13557333 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24570317 0.79 THRB (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10094781 0.78 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4568736 0.78 THRB (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988536-B2 Compositions for surface treatments E I DU PONT DE NEMOURS AND COMPANY (US) 2018-06-05 US disclosed