SCHEMBL241652

SCHEMBL241652

C=C(C)C(=O)OCCC1CC(C(F)(F)C(F)(F)F)O1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.36

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
SCHEMBL241646 0.89 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL244923 0.86 ALDH1A1 (0.55) ALDH1A1THRBTSHR
SCHEMBL245847 0.79 ALDH1A1 (0.49) ALDH1A1THRBTSHR
SCHEMBL27903259 0.78 ALDH1A1 (0.47) ALDH1A1THRBTSHR
SCHEMBL244976 0.74 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL247295 0.74 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL20505422 0.74 ALDH1A1 (0.68) ALDH1A1THRBTSHR
SCHEMBL352927 0.74 ALDH1A1 (0.68) ALDH1A1THRBTSHR
SCHEMBL247207 0.74 ALDH1A1 (0.58) ALDH1A1THRBTSHR
SCHEMBL247751 0.71 ALDH1A1 (0.54) ALDH1A1THRBTSHR

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