SCHEMBL21799301

SCHEMBL21799301

[CH2]C(Br)CCOC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL1447880 0.86 THRB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL27642349 0.82 TSHR (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL27733083 0.82 TSHR (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL15090837 0.82 THRB (0.52) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL11580464 0.81 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL28029508 0.80 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL41669 0.79 TSHR (0.63) THRBTSHRPOLBAPEX1HTT
SCHEMBL496658 0.79 TSHR (0.57) THRBTSHRPOLBAPEX1HTT
SCHEMBL665302 0.79 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL11023086 0.78 THRB (0.48) THRBTSHRPOLBAPEX1HTT

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
EP-2492289-B1 POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY NORITAKE DENTAL INC (JP) 2020-03-18 EP claimed