SCHEMBL4660870

SCHEMBL4660870

COc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2[B-](c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F.COc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2[B-](c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F.[Mg+2]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4659638 0.96 HSD17B10 (0.36) HSD17B10
Trimethylammonium SCHEMBL4662325 0.92 HSD17B10 (0.34) HSD17B10
SCHEMBL6065685 0.82 HSD17B10 (0.32) HSD17B10
SCHEMBL6065499 0.82 HSD17B10 (0.34) HSD17B10
SCHEMBL12965347 0.82 HSD17B10 (0.45) HSD17B10
Hydrogen Sulfide SCHEMBL31327516 0.80 HSD17B10 (0.33) HSD17B10
SCHEMBL6065787 0.80
SCHEMBL1711725 0.79 HSD17B10 (0.47) HSD17B10
SCHEMBL182607 0.74 HSD17B10 (0.40) HSD17B10
SCHEMBL2725387 0.73 HSD17B10 (0.40) HSD17B10

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-1730156-B1 PROCESS FOR PRODUCING TETRAKIS(FLUOROARYL)BORATE SALTS ALBEMARLE CORP (US) 2008-12-17 EP disclosed
US-20070197831-A1 Process for producing tetrakis(faryl)borate-salts LEE JOHN Y 2007-08-23 US disclosed
EP-1730156-A1 PROCESS FOR PRODUCING TETRAKIS(FLUOROARYL)BORATE SALTS ALBEMARLE CORPORATION (US) 2006-12-13 EP disclosed
WO-2005105816-A1 PROCESS FOR PRODUCING TETRAKIS (FLUOROARYL) BORATE-SALTS ALBEMARLE CORPORATION (US) 2005-11-10 WO disclosed