SCHEMBL6142847

SCHEMBL6142847

C[Al-](c1cc(F)c(F)c(F)c1)(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RAPGEF4 Q8WZA2 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
SCHEMBL1012291 0.75 CES2 (0.39) CES2CES1RAPGEF4
SCHEMBL12621 0.65 RAPGEF4 (0.52) CES2CES1RAPGEF4
SCHEMBL1547507 0.65 TUBB1 (0.42) CES2CES1RAPGEF4
SCHEMBL1525706 0.63 CES2 (0.45) CES2CES1RAPGEF4
SCHEMBL531337 0.63 CES2 (0.52) CES2CES1RAPGEF4
Chloromethane SCHEMBL27844640 0.63 CES2 (0.46) CES2CES1RAPGEF4
Ethane SCHEMBL27965993 0.61 CA1 (0.45) CES2CES1RAPGEF4
SCHEMBL2096366 0.60 CES2 (0.43) CES2CES1RAPGEF4
SCHEMBL3947336 0.59 MEN1 (0.41) CES2CES1RAPGEF4
SCHEMBL1998090 0.59 ALDH1A1 (0.56) CES2CES1

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-1034196-B1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS PROMERUS LLC (US) 2005-01-12 EP claimed
EP-0827962-B1 Preparation of silylium salts DOW CHEMICAL CO (US) 2001-01-10 EP claimed
EP-0781299-B1 SILYLIUM CATIONIC POLYMERIZATION ACTIVATORS FOR METALLOCENE COMPLEXES DOW CHEMICAL CO (US) 1998-09-09 EP claimed