SCHEMBL3145441

SCHEMBL3145441

O=C=C1C=CC=C(O)C1[N+](=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
SCHEMBL29749227 0.71
SCHEMBL991546 0.70
SCHEMBL27499006 0.66
SCHEMBL29044000 0.64
SCHEMBL8308240 0.64
SCHEMBL28073190 0.62
SCHEMBL27535678 0.60 NFKB1 (0.32)
SCHEMBL25414445 0.57 CASP6 (0.30)
SCHEMBL7048152 0.57
SCHEMBL11040064 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551961-B2 Localized delivery of cardiac inotropic agents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-08 US disclosed
EP-2217251-A1 METHODS OF AUGMENTING OR REPAIRING SOFT TISSUE Genzyme Corporation (US) 2010-08-18 EP disclosed
WO-2009059121-A1 METHODS OF AUGMENTING OR REPAIRING SOFT TISSUE GENZYME CORPORATION (US) 2009-05-07 WO disclosed
US-20090117188-A1 Methods of Augmenting or Repairing Soft Tissue GENZYME CORPORATION 2009-05-07 US disclosed
EP-1888049-A2 LOCALIZED DELIVERY OF CARDIAC INOTROPIC AGENTS THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-20 EP disclosed
US-20070021358-A1 Localized delivery of cardiac inotropic agents MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-01-25 US disclosed
WO-2006127907-A2 LOCALIZED DELIVERY OF CARDIAC INOTROPIC AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-30 WO disclosed
US-20060093673-A1 Controlled release of anti-arrhythmic agents GENZYME CORPORATION 2006-05-04 US disclosed
US-7022343-B2 Controlled release of anti-arrhythmic agents GENZYME CORPORATION (US) 2006-04-04 US disclosed
EP-1347756-B1 CONTROLLED RELEASE OF ANTI-ARRHYTHMIC AGENTS FROM A BIODEGRADABLE HYDROGEL FOR LOCAL APPLICATION TO THE HEART GENZYME CORP (US) 2006-03-08 EP disclosed
EP-1586349-A1 Controlled release of anti-arrhythmic agents Genzyme Corporation (US) 2005-10-19 EP disclosed
EP-1551368-A1 CONTROLLED RELEASE OF ANTI-ARRHYTHMIC AGENTS Genzyme Corporation (US) 2005-07-13 EP disclosed
WO-2004002449-A1 CONTROLLED RELEASE OF ANTI-ARRHYTHMIC AGENTS GENZYME CORPORATION (US) 2004-01-08 WO disclosed
EP-1347756-A2 CONTROLLED RELEASE OF ANTI-ARRHYTHMIC AGENTS FROM A BIODEGRADABLE POLYETHYLENE OXIDE HYDROGEL FOR LOCAL APPLICATION TO THE HEART GENZYME CORPORATION (US) 2003-10-01 EP disclosed
US-20020150622-A1 Controlled release of anti-arrhythmic agents GENZYME CORPORATION 2002-10-17 US disclosed
WO-2002051383-A2 CONTROLLED RELEASE OF ANTI-ARRHYTHMIC AGENTS FROM A BIODEGRADABLE POLYETHYLENE OXIDE HYDROGEL FOR LOCAL APPLICATION TO THE HEART GENZYME CORPORATION (US) 2002-07-04 WO disclosed