SCHEMBL540697

SCHEMBL540697

O=C1NCCCCCN1

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
SCHEMBL21423158 1.00 CRBN (0.50)
SCHEMBL820756 1.00 CRBN (0.50)
SCHEMBL820984 1.00 CRBN (0.50)
SCHEMBL820531 1.00 CRBN (0.50)
SCHEMBL1955052 1.00 CRBN (0.50)
SCHEMBL821040 1.00 CRBN (0.50)
SCHEMBL8089176 1.00 CRBN (0.50)
SCHEMBL820411 1.00 CRBN (0.50)
SCHEMBL279773 0.96
Hydrochloric Acid SCHEMBL11629900 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476428-B2 Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-02 US claimed
US-20120202993-A1 METHOD OF PREPARING CYCLIC CARBONATES, CYCLIC CARBAMATES, CYCLIC UREAS, CYCLIC THIOCARBONATES, CYCLIC THIOCARBAMATES, AND CYCLIC DITHIOCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-08-09 US claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
JP-4733642-B2 2011-07-27 JP claimed
JP-4676960-B2 2011-04-27 JP claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
JP-4658940-B2 2011-03-23 JP claimed
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-04 US claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479679-A1 Triazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479677-A1 New indole derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed