SCHEMBL624360

SCHEMBL624360

O=C([O-])C1(O)CC1.[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
SCHEMBL9309197 1.00 CA4 (0.35)
SCHEMBL549045 0.93
Potassium Ion SCHEMBL7907680 0.93
Lithium Ion SCHEMBL9861755 0.93
SCHEMBL2802372 0.93
SCHEMBL10388323 0.93
Zinc Ion SCHEMBL8845852 0.93
SCHEMBL10389158 0.93
SCHEMBL675851 0.93
SCHEMBL2805395 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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806527-A Nonylphenol polyoxyethylene ether sodium oxalate ternary viscous micelle dirt degrading agent 大庆瑞雪石油科技开发有限公司 2022-07-29 CN claimed
EP-2621909-B1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM SPA (IT) 2018-12-19 EP claimed
US-8933226-B2 Process for preparing Bosentan monohydrate and it's intermediates ZACH SYSTEMS S.P.A. (IT) 2015-01-13 US claimed
WO-2013186706-A1 PROCESS FOR THE PREPARATION OF BOSENTAN CADILA PHARMACEUTICALS LTD (IN) 2013-12-19 WO claimed
US-20130253195-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATED ZACH SYSTEM SPA (IT) 2013-09-26 US claimed
EP-2621909-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZaCh System S.p.A. (IT) 2013-08-07 EP claimed
WO-2012041764-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM S.P.A. (IT) 2012-04-05 WO claimed
EP-0841326-B1 Process for the preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2001-05-16 EP claimed
US-6121447-A STARTING WITH 2-CYANOPYRIMIDINE, WHICH IS PREPARED BY REACTING 2-CHLOROPYRIMIDINE WITH AN ALKALI CYANIDE IN THE PRESENCE OF 1-AZABICYCLO(2,2,2)OCTANE OR 1,4-DIAZABICYCLO(2,2,2)OCTANE HOFFMANN-LA ROCHE INC. (US) 2000-09-19 US claimed
EP-0841326-A1 Process for the preparation of pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP claimed
US-4408063-A FROM A SULFONYLOXY HALOALCOHOL MERCK & CO., INC. (US) 1983-10-04 US claimed
EP-0006615-B1 PROCESS FOR PREPARING EPIHALOHYDRIN ENANTIOMERS MERCK & CO. INC. (US) 1983-03-02 EP claimed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
EP-0006615-A1 Process for preparing epihalohydrin enantiomers MERCK & CO. INC. (US) 1980-01-09 EP claimed
JP-1193260-A None JP disclosed
EP-4655342-A1 PROCESS FOR DEPOLYMERIZATION OF POLYALKYLENE TEREPHTHALATES IN AN EXTRUDER Evonik Operations GmbH (DE) 2025-12-03 EP disclosed
EP-4504402-A1 IMPROVED PROCESS FOR DEPOLYMERISING POLYETHYLENE TEREPHTHALATE Evonik Operations GmbH (DE) 2025-02-12 EP disclosed
US-4125559-A OXIDATION OF HEXOSES BASF AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4080383-A Production of formaldehyde BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed
US-3935201-A Production of 2,1,3-benzothiadiazin-4-one-2,2-dioxides BASF AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed