SCHEMBL28071827

SCHEMBL28071827

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28055342 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19995629 0.79
Methacrylic Acid SCHEMBL28071829 0.78 TET2 (0.42)
SCHEMBL28829565 0.76 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL36259 0.75 TSHR (0.44) TSHRALDH1A1
SCHEMBL4205584 0.73 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL2913284 0.73 TET2 (0.47)
SCHEMBL28582370 0.69 TET2 (0.37) TSHRALDH1A1
SCHEMBL9719148 0.69 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL9696623 0.69 HTT (0.32)

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