SCHEMBL7097762

SCHEMBL7097762

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
FAAH O00519 8/20 0.33
TET2 Q6N021 1/20 0.33
CES1 P23141 5/20 0.32
CES2 O00748 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7101919 0.90 CA1 (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL7101659 0.85 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL7099720 0.84 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL7097459 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL18130134 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL7101687 0.76 GAA (0.47) MGAMGAASIMGAM2HSD17B10
SCHEMBL27485802 0.76 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL197340 0.75 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL204758 0.72 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL129536 0.71 MGAM (0.44) 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