SCHEMBL5048899

SCHEMBL5048899

Cc1cccc([NH3+])c1C.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 3/20 0.34
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CFTR P13569 1/20 0.30
PMM2 O15305 1/20 0.30
MPI P34949 1/20 0.30
PHOSPHO1 Q8TCT1 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
SCHEMBL2125235 0.85 TRPA1 (0.34) TSHRTRPA1ATMACHESMN1; SMN2
SCHEMBL1899051 0.83 TRPA1 (0.35) MEN1KMT2ALMNATSHRTRPA1
SCHEMBL28411487 0.78 TRPA1 (0.41) MEN1KMT2ALMNATSHRTRPA1
SCHEMBL7460565 0.77 ACHE (0.31) ACHE
SCHEMBL1024274 0.76 RAPGEF4 (0.37) TSHRTRPA1ATMACHESMN1; SMN2
SCHEMBL148465 0.76 TRPA1 (0.33) TSHRTRPA1ATMACHESMN1; SMN2
SCHEMBL17387194 0.76 ACHE (0.40) LMNATSHRTRPA1ATMACHE
SCHEMBL5028488 0.75 ACHE (0.38) TSHRTRPA1ATMACHEALDH1A1
SCHEMBL7459785 0.75 KIF11 (0.31)
SCHEMBL6694445 0.74 TRPA1 (0.41) MEN1KMT2ATSHRTRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813447-B1 BRIDGED BIS-AMIDO GROUP 4 METAL COMPOUNDS IN A CATALYST COMPOSITION SHELL INT RESEARCH (NL) 1998-10-21 EP claimed
EP-1392740-B1 PROCESS FOR THE PREPARATION OF ETHYLENE POLYMERS WITH A BIS-AMIDO TITANIUM COMPOUND BASELL POLYOLEFINE GMBH (DE) 2008-08-20 EP disclosed
US-7202315-B2 Process for the preparation of ethylene polymers BASELL POLYOLEFINE GMBH (DE) 2007-04-10 US disclosed
US-20040097668-A1 Process for the preparation of ethylene polymers SANTAN PHARMACEUTICAL CO., LTD. (JP) 2004-05-20 US disclosed
EP-1392740-A2 PROCESS FOR THE PREPARATION OF ETHYLENE POLYMERS WITH A BIS-AMIDO TITANIUM COMPOUND Basell Polyolefine GmbH (DE) 2004-03-03 EP disclosed
US-6372684-B1 COORDINATION CATALYSTS COMPRISING ZIRCONIUM, TITANIUM, OR HAFNIUM METAL COMPLEX WITH BIS-AMIDO COMPOUND; BORON COMPOUND COCATALYST; AND ORGANOALUMINUM COMPOUNDS; ADDITION POLYMERIZATION; CATALYST SELECTIVITY SHELL OIL COMPANY 2002-04-16 US disclosed
WO-2002024769-A2 PROCESS FOR THE PREPARATION OF ETHYLENE POLYMERS WITH A BIS-AMIDO TITANIUM COMPOUND BASELL TECHNOLOGY COMPANY B.V. (IT) 2002-03-28 WO disclosed
US-20020035219-A1 Catalyst system for alpha-olefin oligomerization HORTON ANDREW D (NL) 2002-03-21 US disclosed
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
EP-1073521-A1 CATALYST SYSTEM FOR ALPHA-OLEFIN OLIGOMERIZATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-02-07 EP disclosed
WO-1999052631-A1 CATALYST SYSTEM FOR α-OLEFIN OLIGOMERIZATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1999-10-21 WO disclosed
EP-0813447-B1 BRIDGED BIS-AMIDO GROUP 4 METAL COMPOUNDS IN A CATALYST COMPOSITION SHELL INT RESEARCH (NL) 1998-10-21 EP disclosed
US-5726115-A OLIGOMERIZATION OF OLEFINS SHELL OIL COMPANY (US) 1998-03-10 US disclosed