SCHEMBL4946196

SCHEMBL4946196

O=C(O)CC(C(=O)O)=C(C(F)(F)c1ccc(F)c(F)c1F)C(F)(F)c1ccc(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL7413262 0.78 CES2 (0.43) CES2CES1ALDH1A1
SCHEMBL8880417 0.71 CES2 (0.43) CES2CES1ALDH1A1
SCHEMBL6525908 0.70 CES2 (0.42) CES2CES1ALDH1A1
SCHEMBL2974322 0.66 CES2 (0.39) CES2CES1
SCHEMBL10608232 0.66 CES1 (0.38) CES2CES1ALDH1A1
SCHEMBL2340405 0.66 CES2 (0.35) CES2CES1ALDH1A1
SCHEMBL6940594 0.66 HDAC4 (0.45) ALDH1A1
SCHEMBL29009844 0.65 CES2 (0.41) CES2CES1ALDH1A1
SCHEMBL3691325 0.65 CES2 (0.37) CES2CES1ALDH1A1ERCC5FEN1
SCHEMBL206670 0.64 CES2 (0.41) 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
US-20120277342-A1 METHACRYLATE-BASED BULKY SIDE-CHAIN SILOXANE CROSS LINKERS FOR OPTICAL MEDICAL DEVICES MCGEE JOSEPH A (US) 2012-11-01 US disclosed
US-7344731-B2 Rigid gas permeable lens material BAUSCH & LOMB INCORPORATED (US) 2008-03-18 US disclosed
US-20060276605-A1 Rigid gas permeable lens material BAUSCH & LOMB INCORPORATED 2006-12-07 US disclosed