SCHEMBL7097276

SCHEMBL7097276

CC(C)(C)CCN(CCC(C)(C)C)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EPOR P19235 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL7101078 0.85
SCHEMBL7096890 0.80 TDP1 (0.30) TDP1
SCHEMBL7097275 0.79
SCHEMBL6431287 0.78 FDPS (0.39) TDP1SMN1; SMN2EPORSLC22A6
SCHEMBL28466576 0.78 FDPS (0.39) TDP1SMN1; SMN2EPORSLC22A6
SCHEMBL4998502 0.75 FOLH1 (0.41) TDP1SMN1; SMN2EPORSLC22A6
SCHEMBL2450587 0.75 TDP1 (0.39) TDP1SMN1; SMN2EPORSLC22A6
SCHEMBL8657775 0.74 GABRR1 (0.38) TDP1SMN1; SMN2EPORSLC22A6
Hydrochloric Acid SCHEMBL3914766 0.73 GPR84 (0.40) TDP1SLC22A6
SCHEMBL1172848 0.73 TDP1 (0.40) TDP1SMN1; SMN2EPORSLC22A6

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 6 patents. 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
US-6077962-A 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) -α L-aspartyl)-L- phenylalanine 1-methyl ester therefrom THE NUTRASWEET COMPANY (US) 2000-06-20 US claimed
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 disclosed
EP-1140795-A1 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 The NutraSweet Company (US) 2001-10-10 EP disclosed
WO-2000039075-A1 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-DIMENTHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THEREFROM THE NUTRASWEET COMPANY (US) 2000-07-06 WO disclosed
US-6077962-A 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) -α L-aspartyl)-L- phenylalanine 1-methyl ester therefrom THE NUTRASWEET COMPANY (US) 2000-06-20 US disclosed