SCHEMBL28829565

SCHEMBL28829565

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
TET2 Q6N021 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4205584 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTET2THRB
SCHEMBL28308452 0.79 ALDH1A1 (0.39) ALDH1A1TET2
SCHEMBL28071827 0.76 TSHR (0.33) ALDH1A1TSHR
SCHEMBL9718560 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTET2THRB
Methacrylic Acid SCHEMBL28829566 0.75 TET2 (0.52) TET2
SCHEMBL28582370 0.74 TET2 (0.37) ALDH1A1TSHRTET2THRB
SCHEMBL9719148 0.74 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL1237423 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL26002565 0.73 TSHR (0.40) ALDH1A1TSHRTHRB
SCHEMBL15963 0.72 ALDH1A1 (0.61) ALDH1A1TSHRTHRB

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