SCHEMBL7587945

SCHEMBL7587945

CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Y+3]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46

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
Silver SCHEMBL15419688 0.94
SCHEMBL11882830 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
SCHEMBL7126341 0.94
SCHEMBL884529 0.94
SCHEMBL7927310 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
SCHEMBL17456590 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
SCHEMBL11427865 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
Zinc Ion SCHEMBL2065790 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
SCHEMBL20637762 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD
Lithium Ion SCHEMBL18171519 0.94 CA1 (0.48) CA1CA2RECQLGLAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058869-A1 Methods of magnetic resonance imaging (MRI) using contract agent solutions formed from the dissolution of hyperpolarised materials GE HEALTHCARE AS (NO) 2002-05-16 US disclosed
WO-2000072031-A1 METHODS OF MAGNETIC RESONANCE IMAGING (MRI) USING CONTRACT AGENT SOLUTIONS FORMED FROM THE DISSOLUTION OF HYPERPOLARISED MATERIALS NYCOMED IMAGING AS (NO) 2000-11-30 WO disclosed