SCHEMBL8403140

SCHEMBL8403140

C=C(C)C(=O)OCCC(CO)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1848844 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20298227 0.81 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1132033 0.78 TSHR (0.55) THRBTSHRALDH1A1
SCHEMBL20719918 0.75 TSHR (0.47) THRBTSHRALDH1A1
SCHEMBL28067327 0.75 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1852500 0.74 TSHR (0.50) THRBTSHRALDH1A1
SCHEMBL9063433 0.74 TSHR (0.50) THRBTSHRALDH1A1
SCHEMBL1502687 0.73 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL36359 0.73 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1499700 0.73 TSHR (0.52) 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-5889073-A FORMING HYDROPHOBIC PHOTOPOLYMERIZABLE COMPOSITION INTO DESIRED FORM, CONTACTING SURFACE OF FORMED SHAPE WITH HYDROPHILIC LIQUID CONTAINING COMPOUND WITH POLYMERIZABLE UNSATURATED DOUBLE BONDS, RADIATING, CURING DAINIPPON INK & CHEMICALS, INC. (JP) 1999-03-30 US disclosed