SCHEMBL5162391

SCHEMBL5162391

CC1CCOC2(OCCC(C)O2)O1

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
SCHEMBL23117367 0.79
SCHEMBL3057463 0.76
SCHEMBL10078959 0.74
SCHEMBL23925511 0.72
SCHEMBL10570548 0.71
SCHEMBL16310949 0.70 KDM4E (0.34)
SCHEMBL10309513 0.70
SCHEMBL10568969 0.70
SCHEMBL1472080 0.69 PABPC1 (0.35)
SCHEMBL27744266 0.69

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-7232852-B2 Photopolymerizable compositions that include alicyclic/aromatic dioxiranes and novel dioxiranyl tetraoxaspiro [5.5] undecanes CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-06-19 US disclosed
EP-1349888-B1 POLYMERIC CROSSLINKABLE COMPOSITIONS CONTAINING SPIROORTHOCARBONATES DU PONT (US) 2007-03-07 EP disclosed
US-7129290-B2 Polymeric crosslinkable compositions containing spiroorthocarbonates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 US disclosed
US-6825364-B2 DENTISTRY REGENERATION CURATORS OF THE UNIVERSITY OF MISSOURI 2004-11-30 US disclosed
US-20040167245-A1 Photopolymerizable compositions that include alicyclic/aromatic dioxiranes and novel dioxiranyl tetraoxaspiro [5.5] undecanes CURATORS OF THE UNIVERSITY OF MISSOURI 2004-08-26 US disclosed
US-6767935-B1 CATIONIC POLYMERIZATION OF UNSATURATED CARBONIC ACIDS, ANHYDRIDES OR ACID CHLORIDES, PHOSPHORIC OR PHOSPHONIC ACID OR ESTERS, SULFONIC ACIDS OR ESTERS; CURING 3M ESPE AG (DE) 2004-07-27 US disclosed
US-20040059067-A1 Polymeric crosslinkable compositions containing spiroorthocarbonates E.I. DU PONT DE NEMOURS AND COMPANY 2004-03-25 US disclosed
EP-1200036-B1 ADHESIVE SYSTEMS 3M ESPE AG (DE) 2004-01-14 EP disclosed
US-6653486-B2 Photopolymerizable; vinyl ether, photoinitiator, iodinium salt, and visible light sensitizer; dentistry, adhesives CURATORS OF THE UNIVERSITY OF MISSOURI 2003-11-25 US disclosed
US-20030187093-A1 Photopolymerizable compositions that include alicyclic/aromatic dioxiranes and novel dioxiranyl tetraoxaspiro [5.5] undecanes CURATORS OF THE UNIVERSITY 2003-10-02 US disclosed
US-20030119931-A1 Novel spiroorthocarbonates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-06-26 US disclosed
US-6458865-B2 FOR DENTAL RESTORATION MATERIAL CURATORS OF THE UNIVERSITY OF MISSOURI 2002-10-01 US disclosed
EP-1200036-A1 ADHESIVE SYSTEMS 3M ESPE AG (DE) 2002-05-02 EP disclosed
EP-1165627-A4 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES UNIV MISSOURI (US) 2002-03-20 EP disclosed
US-20020013380-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
EP-1165627-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2002-01-02 EP disclosed
WO-2001010388-A1 ADHESIVE SYSTEMS 3M ESPE AG (DE) 2001-02-15 WO disclosed
WO-2000042080-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2000-07-20 WO disclosed
US-4870193-A ESTER INTERCHANGE WITH GLYCOL TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-09-26 US disclosed