SCHEMBL7110381

SCHEMBL7110381

CC(F)C(=O)C(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SLC7A5 Q01650 1/20 0.33
MAPT P10636 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
SCHEMBL19024140 0.82 TP53 (0.40) TP53SLC7A5MAPT
SCHEMBL1920209 0.81 TP53 (0.50) TP53SLC7A5MAPT
SCHEMBL583938 0.77
SCHEMBL1033384 0.77
SCHEMBL135699 0.77
SCHEMBL1442241 0.77
SCHEMBL30730719 0.77
SCHEMBL5604362 0.77 TP53 (0.40) TP53SLC7A5MAPT
SCHEMBL380319 0.75 TP53 (0.44) TP53SLC7A5
SCHEMBL6916251 0.74

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-1174415-B1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PROD & CHEM (US) 2003-10-22 EP disclosed
EP-1174415-A1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-23 EP disclosed
US-6307105-B1 ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID AIR PRODUCTS AND CHEMICALS, INC. 2001-10-23 US disclosed