Ether

Ether

SCHEMBL6654560

CCOCC.C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.30

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6381984 0.94 KDM4E (0.31)
SCHEMBL116944 0.88
SCHEMBL30973629 0.86
Heptane SCHEMBL25329708 0.84 SOAT1 (0.33) MAPK1
SCHEMBL6378920 0.84 CA2 (0.37) TSHR
SCHEMBL6377992 0.83 CA2 (0.34)
SCHEMBL394834 0.81
SCHEMBL29907880 0.81
SCHEMBL29497620 0.81
Di(Hydroxyethyl)Ether SCHEMBL8500097 0.81 KCNH3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070071-B1 PURIFICATION OF PENTAFLUOROPHENYL BORON COMPOUNDS ALBEMARLE CORP (US) 2004-06-16 EP disclosed
EP-1070071-A1 PURIFICATION OF PENTFLUOROPHENYL BORON COMPOUNDS ALBEMARLE CORPORATION (US) 2001-01-24 EP disclosed
WO-1999052914-A1 PURIFICATION OF PENTAFLUOROPHENYL BORON COMPOUNDS ALBEMARLE CORPORATION (US) 1999-10-21 WO disclosed
US-5959151-A Process for the purification of pentafluorophenyl boron compounds ALBEMARLE CORPORATION (US) 1999-09-28 US disclosed