SCHEMBL4794516

SCHEMBL4794516

CCC1=C(C)C=CC1

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
SCHEMBL3185750 1.00
SCHEMBL18555811 0.82
SCHEMBL7946669 0.81
SCHEMBL4809308 0.80
SCHEMBL6286176 0.80
Hydrochloric Acid SCHEMBL5898874 0.77
Hydrochloric Acid SCHEMBL9172766 0.77
Hydrochloric Acid SCHEMBL9172764 0.77
Hydrochloric Acid SCHEMBL9166977 0.77
Hydrochloric Acid SCHEMBL9165189 0.77

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
WO-2001070395-A2 POLYMERIZATION CATALYSTS COMPRISING AN OPEN ETA-5 LIGAND BOREALIS TECHNOLOGY OY (FI) 2001-09-27 WO claimed
EP-1997834-A1 Catalysts Borealis Technology Oy (FI) 2008-12-03 EP disclosed
EP-1629018-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE Univation Technologies LLC (US) 2006-03-01 EP disclosed
US-6911508-B2 Class of metallocenes and method of producing polyethylene UNIVATION TECHNOLOGIES, LLC (US) 2005-06-28 US disclosed
WO-2004108771-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE UNIVATION TECHNOLOGIES, LLC (US) 2004-12-16 WO disclosed
US-20040249096-A1 Class of metallocenes and method of producing polyethylene EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-09 US disclosed
US-20030216590-A1 Novel dendrimer compounds, method for the production thereof, use thereof as catalysts BECKE SIGURD (DE) 2003-11-20 US disclosed
US-6570031-B1 Addition polymerization catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed
EP-1066296-B1 NOVEL DENDRIMER COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS CATALYSTS BAYER AG (DE) 2002-09-04 EP disclosed
US-6403735-B1 REACTING TRANSITION METAL COMPOUND WITH FULVENE COMPOUND IN PRESENCE OF REDUCING AGENT BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-20020010084-A1 Method for producting fulvene metal complexes BECKE SIGURD (DE) 2002-01-24 US disclosed
US-6258744-B1 OLEFIN POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-10 US disclosed
EP-1063243-A2 Olefin polymerization process and catalyst system therefor BAYER AG (DE) 2000-12-27 EP disclosed