SCHEMBL1893598

SCHEMBL1893598

[c]1ccccc1C1=CC=CC1

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
SCHEMBL11584713 0.81
SCHEMBL3817904 0.74
SCHEMBL7187060 0.71
SCHEMBL28174812 0.69
SCHEMBL115447 0.69 CYP3A4 (0.33)
SCHEMBL9307560 0.69
SCHEMBL548695 0.69
SCHEMBL30626777 0.69
SCHEMBL28006187 0.69
SCHEMBL2657767 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758725-B2 Perylenequinone derivatives and uses thereof QUEST PHARMATECH INC. (CA) 2014-06-24 US disclosed
US-8747811-B2 Perylenequinone derivatives and uses thereof QUEST PHARMATECH INC. (CA) 2014-06-10 US disclosed
US-20140072512-A1 PERYLENEQUINONE DERIVATIVES AND USES THEREOF QUEST PHARMATECH, INC. (CA) 2014-03-13 US disclosed
US-20130304089-A1 PERYLENEQUINONE DERIVATIVES AND USES THEREOF QUEST PHARMATECH INC. (CA) 2013-11-14 US disclosed
US-8506931-B2 Perylenequinone derivatives and uses thereof QUEST PHARMATECH INC. (CA) 2013-08-13 US disclosed
EP-1868717-B1 MANUFACTURE OF THIOLACTONES DSM IP ASSETS BV (NL) 2013-03-27 EP disclosed
EP-1866081-B1 MANUFACTURE OF LACTONES DSM IP ASSETS BV (NL) 2013-01-30 EP disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8008346-B2 Chemotherapeutic agents for inhibition of protein translation The Royal University for the Advancement of Learning/McGill University (CA) 2011-08-30 US disclosed
US-7935829-B2 Manufacture of thiolactones DSM IP ASSETS B.V. (NL) 2011-05-03 US disclosed
EP-1465885-A2 NOVEL ALKYL/ARYL HYDROXY OR KETO THIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE Pharmacia Corporation (US) 2004-10-13 EP disclosed
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 US disclosed
EP-1448546-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. Searle LLC (US) 2004-08-25 EP disclosed
US-6740663-B2 ANTIHYPERLIPIDEMIC AGENTS G.D. SEARLE, LLC 2004-05-25 US disclosed
US-20040067872-A1 Novel mono- and di-fluorinated benzothiepine compouds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC (US) 2004-04-08 US disclosed
US-20030195218-A1 Novel alkyl/aryl hydroxy or keto thiepine compounds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake PHARMACIA CORPORATION 2003-10-16 US disclosed
WO-2003061604-A2 NOVEL ALKYL/ARYL HYDROXY OR KETO THIEPINES. PHARMACIA CORPORATION (US) 2003-07-31 WO disclosed
WO-2003040127-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. SEARLE LLC (US) 2003-05-15 WO disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 EP disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed