SCHEMBL7101659

SCHEMBL7101659

CCC(C)(F)C(=O)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
TET2 Q6N021 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FAAH O00519 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL7097762 0.85 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL7100007 0.83 GAA (0.54) MGAMGAASIMGAM2TSHR
SCHEMBL7101919 0.80 CA1 (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL7097459 0.79 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL18130134 0.79 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL1230604 0.77 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL197340 0.77 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL27825814 0.76 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL2681191 0.75
SCHEMBL204758 0.74 GAA (0.50) MGAMGAASIMGAM2TSHR

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
EP-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed