SCHEMBL3414867

SCHEMBL3414867

CCCNC(=O)C(C)=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
SCHEMBL6858080 0.85 MMP1 (0.52)
SCHEMBL1310321 0.84 EPHX1 (0.54)
SCHEMBL2552861 0.82 MMP1 (0.41)
SCHEMBL2802349 0.82 EPHX1 (0.60)
SCHEMBL2552858 0.82 MMP1 (0.41)
SCHEMBL18754166 0.80 MMP1 (0.40)
SCHEMBL9152050 0.79 MMP1 (0.43)
SCHEMBL149370 0.79
SCHEMBL18330645 0.79 MMP1 (0.39)
SCHEMBL6583643 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US claimed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO claimed
WO-2017112824-A2 METHOD OF TREATING OR AMELIORATING METABOLIC DISORDERS USING BINDING PROTEINS FOR GASTRIC INHIBITORY PEPTIDE RECEPTOR (GIPR) IN COMBINATION WITH GLP-1 AGONISTS AMGEN INC. (US) 2017-06-29 WO disclosed
WO-2015031725-A1 TRANSITION METAL-CATALYZED IMIDATION OF ARENES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-05 WO disclosed
US-20130216538-A1 Compositions and Methods for Treating Inflammatory Disorders DOMANTIS LIMITED (GB) 2013-08-22 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8304218-B2 Enzymatic peracid production using a cosolvent E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-06 US disclosed
US-20120094342-A1 ENZYMATIC PERACID PRODUCTION USING A COSOLVENT DUPONT US HOLDING, LLC 2012-04-19 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2319532-A1 Recombinant dengue virus containing a common 30 nucleotide deletion in the 3'-UTR of dengue types 3, or 4 The Government of the United States of America, represented by The Secretary, Department of Health and Human Services (US) 2011-05-11 EP disclosed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US disclosed
US-20100040631-A1 Combination Therapy of HIV Using Fusion/Entry Inhibitors Targeting GP41 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO disclosed
US-20070020625-A1 Sequence of the photorhabdus luminescens strain tt01 genome and uses DUCHAUD ERIC 2007-01-25 US disclosed