SCHEMBL6244751

SCHEMBL6244751

CCCCC(F)C(=O)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.36
CYP1A2 P05177 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
CTSK P43235 1/20 0.34

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
SCHEMBL7097454 0.89 GAA (0.52) GAAMGAMSIMGAM2MAPT
SCHEMBL7096535 0.88 MAPT (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL7101773 0.88 FAAH (0.44) MAPTCA1CA2CYP3A4TSHR
SCHEMBL7100091 0.85 MAPT (0.46) GAAMGAMSIMGAM2MAPT
SCHEMBL7103448 0.85 TSHR (0.41) MAPTCA1CA2KMT2ACYP3A4
SCHEMBL7096992 0.81 GAA (0.56) GAAMGAMSIMGAM2KMT2A
SCHEMBL7097752 0.81 FAAH (0.44) MAPTCA1CA2TSHRATM
SCHEMBL7100404 0.81 LMNA (0.49) MAPTCA1CA2CYP3A4TSHR
SCHEMBL7096850 0.79 MAPT (0.50) MAPTCA1CA2KMT2APOLB
SCHEMBL12513505 0.79 CA2 (0.59) GAAMGAMSIMGAM2MAPT

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-1065202-B1 6-(ALPHA-FLUOROALKYL)-4-PYRIMIDONES AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2005-08-03 EP disclosed
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
US-6340757-B1 SYNTHETIC INTERMEDIATE FOR AMINOPYRIMIDINE DERIVATIVES WHICH ARE USEFUL AS ACARICIDES, FUNGICIDES OR NEMATOCIDES, AND PROCESSES FOR PRODUCING THE SAME. UBE INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-1065202-A1 6-(ALPHA-FLUOROALKYL)-4-PYRIMIDONES AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2001-01-03 EP disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed