SCHEMBL3765845

SCHEMBL3765845

O=C([O-])CNCC(CC(=O)[O-])(CC(=O)[O-])NCC(=O)[O-].[Cr+3].[H+]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA4 P22748 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
SCHEMBL4398018 0.94 CA4 (0.31) CA4
Potassium Ion SCHEMBL18173761 0.94 CA12 (0.32) CA4
SCHEMBL6310261 0.94 CA4 (0.35) CA4
SCHEMBL917184 0.94 CA4 (0.35) CA4
SCHEMBL15251307 0.92 CA4 (0.34) CA4
Ammonia Solution, Strong SCHEMBL10493453 0.92 CA4 (0.34) CA4
SCHEMBL2319007 0.92 CA4 (0.39) CA4
SCHEMBL1832568 0.83
SCHEMBL320905 0.83 CA4 (0.31) CA4
Ethylene Glycol SCHEMBL9640310 0.79

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-20100311998-A1 CHELATING AGENT BASED IONIC LIQUIDS, A PROCESS TO PREPARE THEM, AND THEIR USE AKZO NOBEL N.V. (NL) 2010-12-09 US disclosed