SCHEMBL28071809

SCHEMBL28071809

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL19995629 0.87
SCHEMBL27580564 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1
Acrylic Acid SCHEMBL28071811 0.74 ALOX15 (0.47)
SCHEMBL27523144 0.71 THRB (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
Acrylic Acid SCHEMBL28678825 0.71 ALOX15 (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL19253760 0.70 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL453532 0.70 TET2 (0.50)
SCHEMBL8345796 0.70 TSHR (0.42) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL517335 0.69 ALDH1A1 (0.52) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL779461 0.69 ALDH1A1 (0.32) TSHRALDH1A1TP53CYP3A4MAPK1

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
CN-103509560-B Polymer-stabilized optically isotropic liquid crystal formulation and optically isotropic liquid crystal element 财团法人工业技术研究院 2016-08-03 CN disclosed