SCHEMBL1044393

SCHEMBL1044393

CC1=Cc2ccccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2ccccc21)=S(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6300296 0.79
SCHEMBL217507 0.79
SCHEMBL6300481 0.77
SCHEMBL4479131 0.76 ALDH1A1 (0.31)
SCHEMBL339225 0.76
SCHEMBL9572199 0.76
SCHEMBL3682908 0.76
SCHEMBL847126 0.76
SCHEMBL218729 0.76
SCHEMBL153452 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397400-B1 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION INEOS USA LLC (US) 2011-07-13 EP disclosed
EP-2275453-A1 Latent metallocene catalyst systems for olefin polymerization Ineos USA LLC (US) 2011-01-19 EP disclosed
EP-1373325-B1 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION INEOS USA LLC (US) 2008-03-19 EP disclosed
US-7041757-B2 Latent metallocene catalyst systems for olefin polymerization INNOVENE USA LLC (US) 2006-05-09 US disclosed
US-6998449-B2 Latent metallocene catalyst systems for olefin polymerization BP CORPORATION NORTH AMERICA (US) 2006-02-14 US disclosed
US-20050026773-A1 Latent metallocene catalyst systems for olefin polymerization HALL RICHARD A (US) 2005-02-03 US disclosed
US-6803339-B2 TEMPORARILY AND REVERSIBLY PASSIVATING BY CONTACTING WITH AN UNSATURATED HYDROCARBON, SUCH AS C4-C14 ALKYNES, C4-C14 ALLENES AND CYCLOALKENES. BP CORPORATION NORTH AMERICA INC. 2004-10-12 US disclosed
EP-1397400-A1 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION BP Corporation North America Inc. (US) 2004-03-17 EP disclosed
EP-1373325-A2 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION BP Corporation North America Inc. (US) 2004-01-02 EP disclosed
US-20030104927-A1 Latent metallocene catalyst systems for olefin polymerization BARCLAYS BANK PLC, AS SECURITY AGENT (GB) 2003-06-05 US disclosed
WO-2003025023-A2 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION BP CORPORATION NORTH AMERICA INC. (US) 2003-03-27 WO disclosed
WO-2003025029-A1 LATENT METALLOCENE CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION BP CORPORATION NORTH AMERICA INC. (US) 2003-03-27 WO disclosed
US-20030054943-A1 Latent metallocene catalyst systems for olefin polymerization BARCLAYS BANK PLC, AS SECURITY AGENT (GB) 2003-03-20 US disclosed
US-6152543-A COMPRISING, AS ACTIVE INGREDIENTS, A COMPLEX COMPOUND OF METALS IN SUB-GROUPS IV AND V OF THE PERIODIC TABLE AND AN OLIGOMERIC ALUMOXAN COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
US-5474961-A Mixed with alumoxane and organic halide, reverse deactivation BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed