SCHEMBL531641

SCHEMBL531641

C[C@@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(OC(F)(F)F)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.51
NR1I2 O75469 3/20 0.51

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
SCHEMBL531640 1.00 CETP (0.51) CETPNR1I2
SCHEMBL5178599 1.00 CETP (0.51) CETPNR1I2
SCHEMBL531781 1.00 CETP (0.51) CETPNR1I2
SCHEMBL5178774 0.88 CETP (0.51) CETPNR1I2
SCHEMBL5240943 0.88 CETP (0.51) CETPNR1I2
SCHEMBL17998199 0.88 CETP (0.51) CETPNR1I2
SCHEMBL531341 0.88 CETP (0.51) CETPNR1I2
SCHEMBL531911 0.88 CETP (0.61) CETPNR1I2
SCHEMBL531912 0.88 CETP (0.61) CETPNR1I2
SCHEMBL532579 0.88 CETP (0.61) CETPNR1I2

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-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed