SCHEMBL4974174

SCHEMBL4974174

CC1=CCC([Zr](C2=C(C)C(C)=CC2)(c2ccccc2)c2ccccc2)=C1C

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
Hydrochloric Acid SCHEMBL219206 0.69
Hydrochloric Acid SCHEMBL438648 0.69
SCHEMBL6857157 0.69
SCHEMBL4977399 0.69
SCHEMBL4430885 0.67
Hydrochloric Acid SCHEMBL9421603 0.66
SCHEMBL1135059 0.64
SCHEMBL113610 0.64 CFTR (0.38)
SCHEMBL7592091 0.64 ALDH1A1 (0.40)
Hydrochloric Acid SCHEMBL4978876 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397394-B1 POLYETHYLENE RESINS UNIVATION TECH LLC (US) 2012-05-23 EP disclosed
US-7459509-B2 Polyethylene resins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-12-02 US disclosed
US-20080039606-A9 Polyethylene resins BARRY DAVID B 2008-02-14 US disclosed
US-20070173623-A1 Polyethylene resins UNIVATION TECHNOLOGIES, LLC 2007-07-26 US disclosed
US-7199195-B2 Polyethylene resins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-04-03 US disclosed
EP-1397394-A4 POLYETHYLENE RESINS EXXONMOBIL CHEM PATENTS INC (US) 2005-11-02 EP disclosed
US-20040186251-A1 Polyethylene resine UNIVATION TECHNOLOGIES, LLC 2004-09-23 US disclosed
EP-1397394-A1 POLYETHYLENE RESINS Exxonmobil Chemical Patents Inc. (US) 2004-03-17 EP disclosed
WO-2002090393-A1 POLYETHYLENE RESINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-11-14 WO disclosed