SCHEMBL14293281

SCHEMBL14293281

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.34
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
SCHEMBL4314370 0.85 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27701673 0.77 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6757327 0.77 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14293579 0.77 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3802304 0.77 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4313868 0.77 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11023086 0.75 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL234178 0.75 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8473833 0.74 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29025167 0.74 TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008019111-A2 TELOMER COMPOSITIONS AND PRODUCTION PROCESSES GREAT LAKES CHEMICAL CORPORATION (US) 2008-02-14 WO disclosed