SCHEMBL382097

SCHEMBL382097

CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.CNC(OC)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

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
SCHEMBL275276 0.84
Hydrochloric Acid SCHEMBL5860637 0.82
SCHEMBL525878 0.80
SCHEMBL2332294 0.77
Phosphoric Acid SCHEMBL1936777 0.76
SCHEMBL6747457 0.58
SCHEMBL436317 0.54
SCHEMBL8373708 0.49
SCHEMBL661517 0.49
SCHEMBL301634 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265083-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE St. Jude Children's Research Hospital (US) 2018-01-10 EP disclosed
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 EP disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 US disclosed
US-8344004-B2 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2013-01-01 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
WO-2001031057-A2 DOUBLE-STRAND NUCLEIC ACID PROBES AND THE USE THEREOF NANOGEN RECOGNOMICS GMBH (DE) 2001-05-03 WO disclosed
WO-2001025264-A2 SUBSTITUTED PHOSPHINATE BASED PEPTIDE DERIVATIVES OSTEOPRO A/S (DK) 2001-04-12 WO disclosed
EP-1061904-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME Aventis Research & Technologies GmbH & Co KG (DE) 2000-12-27 EP disclosed
WO-2000034394-A2 PYRIDINE DYES AND QUINOLINE DYES USED AS MARKERS FOR BIOMOLECULES, POLYMERS, MEDICAMENTS, AND PARTICLES WOLFBEIS OTTO SAMUEL (DE) 2000-06-15 WO disclosed
WO-2000032235-A1 TRANSPORT SYSTEM CONJUGATE PENTAPHARM AG (CH) 2000-06-08 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999047130-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-09-23 WO disclosed
EP-0942756-A2 OPTICAL DIAGNOSTIC AGENTS FOR DIAGNOSIS OF NEURODEGENERATIVE DISEASES BY MEANS OF NEAR INFRA-RED RADIATION (NIR RADIATION) INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1999-09-22 EP disclosed
WO-1998022146-A2 OPTICAL DIAGNOSTIC AGENTS FOR DIAGNOSIS OF NEURODEGENERATIVE DISEASES BY MEANS OF NEAR INFRA-RED RADIATION (NIR RADIATION) Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1998-05-28 WO disclosed
WO-1997006258-A2 cDNA SEQUENCE, AMINO-ACID SEQUENCE, DERIVED FROM THE cDNA SEQUENCE, OF THE PRECURSOR PROTEIN OF HUMAN GCAP-II/UROGUANYLINE, AND AMINO-ACID SEQUENCE OF THE FRAGMENT CIRCULATING IN HUMAN BLOOD FORSSMANN WOLF GEORG (DE) 1997-02-20 WO disclosed