SCHEMBL20366104

SCHEMBL20366104

C=C(C)C(=O)OCCOP(=O)(OC)OCCN

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.36
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
SCHEMBL3274864 0.92 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3680829 0.89 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20366393 0.86
SCHEMBL23628234 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11949113 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL41530 0.83 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18022725 0.82 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
Phosphoric Acid SCHEMBL18787889 0.80 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4010567 0.80 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27838291 0.79 TSHR (0.56) 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-2545090-B1 RAFT AQUEOUS POLYMERIZATION OF BLOCK POLYMERS UNIV SHEFFIELD (GB) 2018-07-11 EP disclosed