SCHEMBL827627

SCHEMBL827627

CCO[Al]OCC.[H-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Lithium Ion SCHEMBL1408733 0.92
SCHEMBL2671575 0.92
SCHEMBL4046300 0.88
Hydrochloric Acid SCHEMBL1170290 0.88
Bromide SCHEMBL11354974 0.88
Lithium SCHEMBL7929038 0.88
Iodide SCHEMBL11348804 0.88
SCHEMBL28435678 0.88
SCHEMBL5322732 0.85
SCHEMBL27485439 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902357-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-08 US claimed
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2010-09-02 US claimed
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2009-05-28 US claimed
EP-1948626-B1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LTD (GB) 2009-03-04 EP claimed
EP-1948626-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF Sinclair Pharmaceuticals Limited (GB) 2008-07-30 EP claimed
WO-2007057681-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-05-24 WO claimed
US-8143463-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
US-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2011-04-21 US disclosed
US-7910730-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-22 US disclosed
US-7902357-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-08 US disclosed
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2010-09-02 US disclosed
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2009-05-28 US disclosed
EP-1948626-B1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LTD (GB) 2009-03-04 EP disclosed
US-20030216362-A1 Estra-1,3,5 (10)-triene derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-11-20 US disclosed
EP-1284272-A1 ESTRA-1,3,5(10)-TRIENE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-19 EP disclosed
US-4604392-A 2-substituted benzofuran derivatives useful in treating cardiac arrhythmic, histaminic and tussive conditions A. MENARINI S.A.S. (IT) 1986-08-05 US disclosed
US-4485112-A N-[(Benzofuran-2-yl)(phenyl)methyl]-alkylene diamines useful in treating arrhythmic, histaminic and tussive conditions A. MENARINI S.A.S. (IT) 1984-11-27 US disclosed
US-4467047-A ISOMERIZATION CATALYST SHELL OIL COMPANY (US) 1984-08-21 US disclosed
US-4467048-A ISOMERIZATION CATALYST SHELL OIL COMPANY (US) 1984-08-21 US disclosed
US-3988456-A ANALGESICS, ANTITUSSIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-26 US disclosed