SCHEMBL246669

SCHEMBL246669

C=C(C)C(=O)OCC1(C(F)(F)F)CCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL244937 0.88 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL245659 0.86 THRB (0.41) ALDH1A1TSHRTHRBHTT
SCHEMBL1356853 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL246564 0.76 THRB (0.38) ALDH1A1TSHRTHRBHTT
SCHEMBL2883955 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL11148390 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL1357095 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL27798366 0.74 THRB (0.42) ALDH1A1TSHRTHRBHTT
SCHEMBL27819602 0.72 TSHR (0.46) ALDH1A1TSHRTHRBHTT
SCHEMBL4136550 0.71 TSHR (0.47) ALDH1A1TSHRTHRBHTT

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