SCHEMBL2191663

SCHEMBL2191663

CC1=C(C)C(C)(C)C([Zr]C2=C(C)C(C)=C(C)C2(C)C)=C1C.c1ccccc#1

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
Benzene SCHEMBL219217 0.85 CTSD (0.30)
SCHEMBL248760 0.82 CTSD (0.33)
Hydrochloric Acid SCHEMBL8162359 0.80 CTSD (0.32)
Bromide SCHEMBL7870148 0.80 CTSD (0.32)
Hydrochloric Acid SCHEMBL137722 0.80 CTSD (0.32)
Methane SCHEMBL4577018 0.80 CTSD (0.32)
Hydrochloric Acid SCHEMBL4093025 0.80 CTSD (0.32)
Fluoride SCHEMBL5613215 0.80 CTSD (0.32)
SCHEMBL3845460 0.80 CTSD (0.32)
Chloromethane SCHEMBL3682470 0.78 CTSD (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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181979-B1 Matrix of a catalytic component and a material comprising free olefin groups and process for polyolefin production ROHM & HAAS (US) 2011-07-13 EP disclosed
EP-0949278-B2 Polymeric product produced with catalyst comprising an ion pair EXXONMOBIL CHEM PATENTS INC (US) 2009-11-04 EP disclosed
US-7598317-B2 Precision fragmentation assemblages and olefin polymerization catalysts made therefrom ROHM AND HAAS COMPANY (US) 2009-10-06 US disclosed
EP-0627448-B2 Supported ionic metallocene catalysts for olefin polymerization EXXONMOBIL CHEM PATENTS INC (US) 2008-03-19 EP disclosed
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
US-7153915-B2 Precision fragmentation assemblages and olefin polymerization catalysts made therefrom ROHM AND HAAS COMPANY (US) 2006-12-26 US disclosed
US-20060270813-A1 Precision fragmentation assemblages and olefin polymerization catalysts made therefrom ROHM AND HAAS COMPANY 2006-11-30 US disclosed
EP-0521908-B2 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY EXXONMOBIL CHEM PATENTS INC (US) 2006-10-18 EP disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
EP-0558158-A1 Catalysts, method of preparing these catalysts and method of using said catalysts EXXON CHEMICAL PATENTS INC. (US) 1993-09-01 EP disclosed
EP-0521908-A1 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY. EXXON CHEMICAL PATENTS INC (US) 1993-01-13 EP disclosed
EP-0507876-A1 SUPPORTED IONIC METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION. EXXON CHEMICAL PATENTS INC (US) 1992-10-14 EP disclosed
US-5153157-A Catalyst system of enhanced productivity EXXON CHEMICAL PATENTS INC. (US) 1992-10-06 US disclosed
EP-0468537-A1 Catalysts, method of preparing these catalysts and method of using said catalysts EXXON CHEMICAL PATENTS INC. (US) 1992-01-29 EP disclosed
WO-1991014713-A1 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY EXXON CHEMICAL PATENTS INC. (US) 1991-10-03 WO disclosed
WO-1991012285-A1 BLOCK COPOLYMERS FROM IONIC CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1991-08-22 WO disclosed
WO-1991009882-A1 SUPPORTED IONIC METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION EXXON CHEMICAL PATENTS INC. (US) 1991-07-11 WO disclosed
WO-1988005793-A1 CATALYSTS, METHOD OF PREPARING THESE CATALYSTS AND METHOD OF USING SAID CATALYSTS EXXON CHEMICAL PATENTS, INC. (US) 1988-08-11 WO disclosed
EP-0277004-A1 Catalysts, method of preparing these catalysts and method of using said catalysts EXXON CHEMICAL PATENTS INC. (US) 1988-08-03 EP disclosed