SCHEMBL9847009

SCHEMBL9847009

C=C(C)C(=O)OCCP(C)(C)=O

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 0.44
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL11843082 0.88 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19291628 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1532875 0.83 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL42001 0.83 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26607636 0.82 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL28716890 0.82 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28774876 0.82 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Phosphoric Acid SCHEMBL836840 0.80 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL491490 0.80 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.79 THRB (0.74) 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
EP-0443166-A1 Acrylonitril(co)polymers containing phosphonic esters BAYER AG (DE) 1991-08-28 EP disclosed