SCHEMBL10016993

SCHEMBL10016993

C=CC(=O)OC(C)(OCC(F)(F)S)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 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
SCHEMBL10017006 0.88 ALDH1A1 (0.31) THRBMAPK1ALDH1A1TP53CYP3A4
SCHEMBL10016994 0.87 TSHR (0.48) THRBALDH1A1CYP3A4HPGDTSHR
SCHEMBL10017010 0.86 ALDH1A1 (0.30) MAPK1ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL10017005 0.86 ALDH1A1 (0.30) MAPK1ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL10017001 0.85 TSHR (0.46) TSHR
SCHEMBL10017004 0.82 ALDH1A1 (0.32) THRBMAPK1ALDH1A1TP53CYP3A4
SCHEMBL10017070 0.81 THRB (0.34) THRBTSHR
SCHEMBL10016991 0.77 THRB (0.37) THRBMAPK1ALDH1A1CYP3A4
SCHEMBL10016995 0.77 CYP19A1 (0.34)
SCHEMBL28178595 0.73 TSHR (0.37) THRBMAPK1ALDH1A1TP53CYP3A4

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-2012050015-A1 POLYMERIZABLE FLUORINE-CONTAINING SULFONATE, FLUORINE-CONTAINING SULFONATE RESIN, RESIST COMPOSITION AND PATTERN-FORMING METHOD USING SAME セントラル硝子株式会社 (JP) 2012-04-19 WO disclosed