SCHEMBL8205511

SCHEMBL8205511

CCC(=O)COC(=NO)OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 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
SCHEMBL28861255 0.74 TDP1 (0.39) TDP1SOAT1
SCHEMBL22776151 0.73 TDP1 (0.43) TDP1MGAMGAASIMGAM2
SCHEMBL713608 0.67
SCHEMBL3866745 0.67 TDP1 (0.47) TDP1MGAMGAASIMGAM2
SCHEMBL13167778 0.67 TSHR (0.42) TDP1MGAMGAASIMGAM2
SCHEMBL13908770 0.67 EPHX1 (0.47) TDP1MGAMGAASIMGAM2
SCHEMBL9425130 0.67 TDP1 (0.41) TDP1MGAMGAASIMGAM2
SCHEMBL6521039 0.67 HCAR2 (0.54) TDP1
SCHEMBL267249 0.66
SCHEMBL9246006 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11126631-A None JP disclosed
US-6139991-A NONAQUEOUS SOLVENT, ELECTROLYTE AND CARBONIC ESTER UBE INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed
JP-H11126631-A ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY USING IT UBE IND LTD 1999-05-11 JP disclosed