SCHEMBL5048900

SCHEMBL5048900

C[NH+](C)c1ccccc1.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.34
PTGS1 P23219 3/20 0.33
ADORA1 P30542 2/20 0.31
PTGS2 P35354 2/20 0.31
ACHE P22303 1/20 0.31
ADORA2A P29274 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
SCHEMBL139663 0.85 ALDH1A1 (0.32)
SCHEMBL4810297 0.82 CYP1A2 (0.30)
SCHEMBL135100 0.82 ACHE (0.40) ADORA1ACHEADORA2A
SCHEMBL20841979 0.80 NFE2L2 (0.44) NFE2L2PTGS1PTGS2ACHE
SCHEMBL6913187 0.79 ACHE (0.36) NFE2L2ADORA1ACHEADORA2A
SCHEMBL7878248 0.79 KIF11 (0.48)
SCHEMBL7455798 0.77
SCHEMBL7460569 0.77
SCHEMBL689497 0.75 CA1 (0.42) NFE2L2ACHE
SCHEMBL8979454 0.74 ALDH1A1 (0.43)

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 20 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
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP 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-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 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
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 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
EP-0714920-B1 Catalyst for polymerization of olefins NIPPON OIL CO LTD (JP) 1997-11-05 EP disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0714920-A1 Catalyst for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1996-06-05 EP disclosed