SCHEMBL449043

SCHEMBL449043

CC1=C(C)C(C)C(C)=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
SCHEMBL525718 1.00
Hydrochloric Acid SCHEMBL9233649 0.96
Hydrochloric Acid SCHEMBL9233653 0.96
SCHEMBL2177560 0.96
Hydrochloric Acid SCHEMBL3693819 0.96
SCHEMBL3887277 0.96
SCHEMBL14718645 0.96
SCHEMBL21356236 0.96
SCHEMBL3223642 0.96
SCHEMBL8098100 0.96

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 308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450272-B2 Homogeneous process for hydrodehalogenating halogenated heteroaryl compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-10-22 US claimed
US-20180334433-A1 HOMOGENEOUS PROCESS FOR HYDRODEHALOGENATING HALOGENATED HETEROARYL COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-11-22 US claimed
US-9994647-B2 Metal complex with a cyclic amidine ligand ARLANXEO NETHERLANDS B.V. (NL) 2018-06-12 US claimed
US-9856282-B2 Dehydrogenation catalyst, and carbonyl compound and hydrogen production method using said catalyst KANTO KAGAKU KABUSHIKI KAISHA (JP) 2018-01-02 US claimed
US-9815923-B2 Catalyst system ARLANXEO NETERLANDS, B.V. (NL) 2017-11-14 US claimed
US-20160347873-A1 METAL COMPLEX WITH A CYCLIC AMIDINE LIGAND ARLANXEO NETHERLANDS B.V. (NL) 2016-12-01 US claimed
US-9315594-B2 Titanium-catalyst system comprising substituted cyclopentadienyl, guanidine and diene ligands LANXESS ELASTOMERS B.V. (NL) 2016-04-19 US claimed
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS Universite de Bordeaux (FR) 2015-07-09 US claimed
EP-2684887-B1 New process for preparing arylboranes by arylation of organoboron compounds UNIV BORDEAUX (FR) 2015-06-17 EP claimed
EP-2872519-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX (FR) 2015-05-20 EP claimed
EP-2298723-A1 PRACTICAL METHOD FOR REDUCING ESTERS OR LACTONES Tokyo Institute of Technology (JP) 2011-03-23 EP claimed
CN-100537651-C Polypropylene alloy and preparation method thereof PETROCHINA CO LTD (CN) 2009-09-09 CN claimed
CN-101501083-A Method for preparing high viscosity fluid EXXONMOBIL CHEM PATENTS INC (US) 2009-08-05 CN claimed
CN-101077918-A Polypropylene alloy and preparation method thereof PETROCHINA CO LTD (CN) 2007-11-28 CN claimed
US-6958420-B2 Synthesis of aminoarylboronic esters and substituted anilines from arenes via catalytic C-H activation/borylation/amination and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-10-25 US claimed
US-6828466-B2 Reacting arene with borane; oxidation, hydrogenation phenylboronic acid BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-12-07 US claimed
US-20040030197-A1 Process for the synthesis of phenols from arenes BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-02-12 US claimed
US-20040024237-A1 Synthesis of aminoarylboronic esters and substituted anilines from arenes via catalytic C-H activation/borylation/amination and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2004-02-05 US claimed
US-6444605-B1 REACTING A REACTION PRODUCT OF A MAGNESIUM ALKOXIDE OR ARYLOXIDE AND A GROUP IVB METAL ALKOXIDE OR ARYLOXIDE; AND A CYCLIC OR POLYCYCLIC HYDROCARBON; PREPARING POLYOLEFINS WITH BROAD OR BIMODAL MOLECULAR WEIGHT DISTRIBUTION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-09-03 US claimed
US-6399531-B1 COORDINATION CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-06-04 US claimed