SCHEMBL244937

SCHEMBL244937

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.35
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
SCHEMBL246669 0.88 ALDH1A1 (0.40) ALDH1A1TSHRTHRB
SCHEMBL246564 0.85 THRB (0.38) ALDH1A1TSHRTHRB
SCHEMBL245659 0.77 THRB (0.41) ALDH1A1TSHRTHRB
SCHEMBL28960625 0.76 THRB (0.40) ALDH1A1TSHRTHRB
SCHEMBL1356853 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL2883955 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL4136550 0.73 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL11148390 0.72 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL1357095 0.72 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL4123676 0.70 TSHR (0.44) 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
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