SCHEMBL246316

SCHEMBL246316

C=C(C)C(=O)OCC1OCC1C(F)(F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 4/20 0.33
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL244911 0.88 ALDH1A1 (0.57) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL247295 0.86 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL243689 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
SCHEMBL246722 0.75 ALDH1A1 (0.64) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL243587 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL29025215 0.74 ALDH1A1 (0.57) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL14688132 0.73 ALDH1A1 (0.60) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL244923 0.72 ALDH1A1 (0.55) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL2048901 0.71 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL15617 0.71 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6

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
US-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed