SCHEMBL13756124

SCHEMBL13756124

C=C(C)C(=O)OCCOOCCCBr

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL1931852 0.88 TSHR (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26756429 0.86 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9136941 0.83 TSHR (0.67) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3413686 0.82 TSHR (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL749835 0.81 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24205467 0.81 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9133801 0.81 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9131789 0.81 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22325602 0.81 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2397960 0.81 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1

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-7569328-B2 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION (JP) 2009-08-04 US disclosed