SCHEMBL797694

SCHEMBL797694

CCCC[Zr](CCCC)(C1=CC=CC1)C1=CC=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
SCHEMBL27469577 0.92 TSHR (0.31)
SCHEMBL8383564 0.83
SCHEMBL1135114 0.78
SCHEMBL6858976 0.74
SCHEMBL8380356 0.71
SCHEMBL6857386 0.69
SCHEMBL649692 0.68
SCHEMBL6857174 0.67
SCHEMBL16667047 0.67
Hydrochloric Acid SCHEMBL28559817 0.67

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
US-10833325-B2 Negative electrode active material KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-11-10 US claimed
US-5767217-A Process for the preparation of polyorganosiloxanes containing unsaturated functions, by dehydrogenative condensation in the presence of titanium, zirconium or hafnium RHONE-POULENC CHIMIE (FR) 1998-06-16 US claimed
EP-0717757-B1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF TITANIUM, ZIRKONIUM OR HAFNIUM RHONE POULENC CHIMIE (FR) 1997-12-17 EP claimed
EP-0717757-A1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF TITANIUM, ZIRKONIUM OR HAFNIUM RHONE-POULENC CHIMIE (FR) 1996-06-26 EP claimed
WO-1995007312-A1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF METALS OF GROUP IV RHONE-POULENC CHIMIE (FR) 1995-03-16 WO claimed
US-10833325-B2 Negative electrode active material KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-11-10 US disclosed
US-20180323427-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2018-11-08 US disclosed
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
US-5767217-A Process for the preparation of polyorganosiloxanes containing unsaturated functions, by dehydrogenative condensation in the presence of titanium, zirconium or hafnium RHONE-POULENC CHIMIE (FR) 1998-06-16 US disclosed
EP-0717757-B1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF TITANIUM, ZIRKONIUM OR HAFNIUM RHONE POULENC CHIMIE (FR) 1997-12-17 EP disclosed
WO-1996034023-A1 A METHOD FOR MANUFACTURING OLEFIN COPOLYMERS CONTAINING FUNCTIONAL GROUPS AND POLYMERS OBTAINED BY THE METHOD BOREALIS A/S (DK) 1996-10-31 WO disclosed
EP-0717757-A1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF TITANIUM, ZIRKONIUM OR HAFNIUM RHONE-POULENC CHIMIE (FR) 1996-06-26 EP disclosed
WO-1995007312-A1 METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF METALS OF GROUP IV RHONE-POULENC CHIMIE (FR) 1995-03-16 WO disclosed