SCHEMBL2800401

SCHEMBL2800401

O=[C]COCC(=O)O

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
SCHEMBL29256289 0.85 TSHR (0.36)
SCHEMBL28169407 0.77 TSHR (0.43)
SCHEMBL2505557 0.76
SCHEMBL6960289 0.76
SCHEMBL26928 0.75
SCHEMBL28353573 0.74
Hydrochloric Acid SCHEMBL11311337 0.74
SCHEMBL11059102 0.72
SCHEMBL6960246 0.72
SCHEMBL8892122 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585612-B Octapeptide modified dexamethasone, preparation, nanostructure and application 北京益生康华医药技术有限公司 2020-05-05 CN claimed
CN-105585611-B Octapeptide modified dexamethasone, preparation, nanostructure and application thereof 北京益生康华医药技术有限公司 2020-05-05 CN claimed
CN-105504013-B Octapeptide modified dexamethasone, preparation, nanostructure and application thereof 北京益生康华医药技术有限公司 2020-05-01 CN claimed
US-7759468-B1 modifying a 6-[N-(6-aminohexyl)-N-ethylamino]-2,3-dihydro-phthalazine-1,4-dione marker to include an amino-terminal carboxymethoxyacetyl tether molecule, and covalently binding the tether molecule to a bacteriophage-derived peptide; suitable for a rapid assay for a bacteria in a complex mixture UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-07-20 US claimed
EP-1945611-B1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2010-01-06 EP claimed
US-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides NOVARTIS AG (CH) 2009-09-10 US claimed
EP-1945611-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES Novartis Pharma AG (CH) 2008-07-23 EP claimed
WO-2007051619-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2007-05-10 WO claimed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO claimed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US claimed
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP claimed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US claimed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 EP claimed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US claimed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US claimed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US claimed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
EP-4210729-A2 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-19 EP disclosed
EP-4204442-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
WO-2022055877-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-17 WO disclosed
CN-105585612-B Octapeptide modified dexamethasone, preparation, nanostructure and application 北京益生康华医药技术有限公司 2020-05-05 CN disclosed
CN-105585611-B Octapeptide modified dexamethasone, preparation, nanostructure and application thereof 北京益生康华医药技术有限公司 2020-05-05 CN disclosed
CN-105504013-B Octapeptide modified dexamethasone, preparation, nanostructure and application thereof 北京益生康华医药技术有限公司 2020-05-01 CN disclosed
US-20140357838-A1 N-Terminally Modified Insulin Derivatives NOVO NORDISK A/S (DK) 2014-12-04 US disclosed
EP-2794648-A1 N-TERMINALLY MODIFIED INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2014-10-29 EP disclosed
US-20140315797-A1 Novel N-Terminally Modified Insulin Derivatives NOVO NORDISK A/S (DK) 2014-10-23 US disclosed
EP-2627670-A2 NOVEL N-TERMINALLY MODIFIED INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2013-08-21 EP disclosed
WO-2013093009-A1 N -TERMINALLY MODIFIED INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2013-06-27 WO disclosed
WO-2012049307-A2 NOVEL N-TERMINALLY MODIFIED INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2012-04-19 WO disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
EP-1945611-B1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides NOVARTIS AG (CH) 2009-09-10 US disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
EP-1945611-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES Novartis Pharma AG (CH) 2008-07-23 EP disclosed
WO-2007051619-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2007-05-10 WO disclosed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
WO-2005077377-A1 COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-08-25 WO disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO disclosed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US disclosed
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US disclosed
US-6642217-B2 Treating a fungal or yeast infection such as with betulin, allobetulin, and lupeol NATURTEK, LLC 2003-11-04 US disclosed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US disclosed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US disclosed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO disclosed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed