SCHEMBL244923

SCHEMBL244923

C=C(C)C(=O)OCC1CC(C(F)(F)C(F)(F)F)O1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL247207 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL241652 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL29057379 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL241719 0.78 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL9577034 0.74 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL241646 0.73 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL246316 0.72 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL243689 0.72 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
SCHEMBL5098171 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL15617 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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