SCHEMBL9079161

SCHEMBL9079161

C1=CCC(C2C=CC=CC2)C=C1

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
SCHEMBL5567653 0.84
SCHEMBL29612605 0.82
SCHEMBL2804513 0.80
SCHEMBL17196454 0.80
SCHEMBL20830528 0.78
SCHEMBL28194228 0.78
SCHEMBL13782782 0.76
SCHEMBL13813861 0.76
SCHEMBL21253826 0.76
SCHEMBL13289379 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257869-B1 SILANE-MEDIATED ENHANCEMENT OF RUBBER STORAGE STABILITY TRINSEO EUROPE GMBH (CH) 2019-01-23 EP claimed
EP-1778672-B1 Crystalline form of a biphenyl compound THERAVANCE INC (US) 2012-12-19 EP claimed
US-5490952-A REDUCING COMPLEX OF COPPER HALIDE OR CYANIDE AND ALKALI HALIDE WITH ALKALI SALT OF AROMATIC ANION; FOR SYNTHESIZING HIGHLY FUNCTIONAL ORGANIC COMPOUNDS UNIVERSITY OF NEBRASKA (US) 1996-02-13 US claimed
EP-0583429-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF Board of Regents of the University of Nebraska (US) 1994-02-23 EP claimed
US-5231205-A Formation of silanes from magnesium salts and dienes BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-07-27 US claimed
WO-1992019623-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1992-11-12 WO claimed
CN-101273012-A Sythesis of renin inhibitors involving a cycloaddition reaction NOVARTIS AG (CH) 2008-09-24 CN disclosed
US-5490951-A ZEROVALENT COPPER SPECIES CAPABLE OF REACTING WITH ALLYLIC HALIDE OR ACETATE TO FORM ALLYLIC ORGANOCUPRATE; FOR SYNTHESIS OF HIGHLY FUNCTIONAL COMPOUNDS UNIVERSITY OF NEBRASKA (US) 1996-02-13 US disclosed
US-5384078-A Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-01-24 US disclosed
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US disclosed
US-5332807-A Process of producing 8A- and 9A-azalide antibiotics MERCK & CO., INC. (US) 1994-07-26 US disclosed
WO-1994015617-A1 8A-AZA AND 9A-AZA MACROLIDE ANTIBIOTICS, AND A PROCESS FOR PRODUCING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1994-07-21 WO disclosed
US-5330687-A Preparation of functionalized polymers utilizing a soluble highly reactive form of calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-07-19 US disclosed
US-5231205-A Formation of silanes from magnesium salts and dienes BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-07-27 US disclosed
US-5211886-A Polymer with solubilizers of ethers or hydrocarbons BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
US-5211889-A Organocalcium cuprate complexes formed by reduction BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
WO-1993003044-A1 REACTIVE FORM OF CALCIUM AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
WO-1993003071-A1 PREPARATION OF FUNCTIONALIZED POLYMERS UTILIZING A REACTIVE FORM OF CALCIUM BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
WO-1993003071-A1 PREPARATION OF FUNCTIONALIZED POLYMERS UTILIZING A REACTIVE FORM OF CALCIUM BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed