SCHEMBL7100430

SCHEMBL7100430

CC(C)(C)CCN(C=O)[C@@H](CC(N)=O)C(=O)O.CC(C)(C)CCN[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 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
SCHEMBL7100427 0.88
SCHEMBL7097278 0.87
SCHEMBL6156040 0.82 ECE1 (0.41) ECE1
SCHEMBL7097275 0.76
SCHEMBL7101078 0.70
SCHEMBL7099887 0.70 GRN (0.39)
SCHEMBL5335559 0.70 GRN (0.39)
Hydrochloric Acid SCHEMBL7101089 0.68 GRN (0.38)
SCHEMBL7097602 0.68
SCHEMBL30645307 0.67 ECE1 (0.42) ECE1

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-1140795-B1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM NUTRASWEET CO (US) 2003-09-03 EP claimed