SCHEMBL91928

SCHEMBL91928

CCCOc1cc([C@@H]2CCC(CCC)CO2)cc(OCCC)c1-c1cc(F)c(CF)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.33
FASN P49327 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
SCHEMBL91881 1.00 PTAFR (0.33) PTAFRFASN
SCHEMBL92005 1.00 PTAFR (0.33) PTAFRFASN
SCHEMBL92009 0.96 PTAFR (0.32) PTAFRFASN
SCHEMBL91926 0.94 FASN (0.30) FASN
SCHEMBL91932 0.88 ADRB2 (0.31)
SCHEMBL91842 0.87 HTR1A (0.35) FASN
SCHEMBL91840 0.84 FASN (0.35) PTAFRFASN
SCHEMBL84086 0.81
SCHEMBL83414 0.81
SCHEMBL18418532 0.79 FASN (0.46) FASN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed