SCHEMBL937334

SCHEMBL937334

N#CCOP(=O)([O-])[O-].[Na+].[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
SCHEMBL926219 0.97
Potassium Ion SCHEMBL3131828 0.97
Potassium Ion SCHEMBL3897706 0.95
Ammonia Solution, Strong SCHEMBL976623 0.95
Potassium Ion SCHEMBL5803916 0.87 SLC34A1 (0.32)
SCHEMBL9098975 0.82
Tetrabuthylammonium SCHEMBL2824667 0.79 SLC22A1 (0.41)
Potassium Ion SCHEMBL5689772 0.77
SCHEMBL6645670 0.77 TSHR (0.38)
SCHEMBL6998232 0.74 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218007-B1 OPTICALLY ACTIVE ISOMERS OF KETOTIFEN AND THERAPEUTICALLY ACTIVE METABOLITES THEREOF BRIDGE PHARMA INC (US) 2011-07-20 EP disclosed
US-7872025-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2011-01-18 US disclosed
US-7557128-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2009-07-07 US disclosed
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof ABERG A K GUNNAR 2009-06-11 US disclosed
US-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen ABERG A K GUNNAR 2008-11-20 US disclosed
US-7226934-B1 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2007-06-05 US disclosed
EP-1218007-A4 OPTICALLY ACTIVE ISOMERS OF KETOTIFEN AND THERAPEUTICALLY ACTIVE METABOLITES THEREOF BRIDGE PHARMA INC (US) 2003-04-09 EP disclosed
CN-1391475-A Optical isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA INC (US) 2003-01-15 CN disclosed
EP-1218007-A1 OPTICALLY ACTIVE ISOMERS OF KETOTIFEN AND THERAPEUTICALLY ACTIVE METABOLITES THEREOF Bridge Pharma, Inc. (US) 2002-07-03 EP disclosed
WO-2001019367-A1 OPTICALLY ACTIVE ISOMERS OF KETOTIFEN AND THERAPEUTICALLY ACTIVE METABOLITES THEREOF BRIDGE PHARMA, INC. (US) 2001-03-22 WO disclosed