Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5153050

CC(N)OC(C)(C)C.Cl

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. 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
SCHEMBL149017 0.97
SCHEMBL13020825 0.97
Fluoride SCHEMBL4617197 0.93
Water SCHEMBL2820890 0.93
Bromide SCHEMBL2351776 0.93
Oxalic Acid SCHEMBL1052753 0.81 ALDH1A1 (0.36)
SCHEMBL10643900 0.77 ALDH1A1 (0.33)
Nitric Acid SCHEMBL8210911 0.77 CA5A (0.36)
SCHEMBL16226274 0.76
SCHEMBL3312764 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944747-B1 PREPARATION OF ONIUM HYDROXIDES IN AN ELECTROCHEMICAL CELL SACHEM INC (US) 2007-01-03 EP disclosed
US-6527932-B1 In an electrodialysis apparatus comprising one or more cell units, each cell unit comprising a bipolar membrane and an anion-selective membrane BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
EP-1025281-A4 SYNTHESIS OF ONIUM HYDROXIDES FROM ONIUM SALTS SACHEM INC (US) 2002-03-27 EP disclosed
EP-1025281-A1 SYNTHESIS OF ONIUM HYDROXIDES FROM ONIUM SALTS Sachem, Inc. (US) 2000-08-09 EP disclosed
US-5853555-A Synthesis of onium hydroxides from onium salts SACHEM, INC. (US) 1998-12-29 US disclosed
US-5833832-A Preparation of onium hydroxides in an electrochemical cell SACHEM, INC. (US) 1998-11-10 US disclosed
WO-1998044169-A1 SYNTHESIS OF ONIUM HYDROXIDES FROM ONIUM SALTS SACHEM, INC. (US) 1998-10-08 WO disclosed
EP-0644955-A4 METHOD FOR PREPARING ORGANIC AND INORGANIC HYDROXIDES AND ALKOXIDES BY ELECTROLYSIS. SACHEM INC (US) 1995-09-27 EP disclosed
EP-0644955-A1 METHOD FOR PREPARING ORGANIC AND INORGANIC HYDROXIDES AND ALKOXIDES BY ELECTROLYSIS Sachem, Inc. (US) 1995-03-29 EP disclosed
WO-1994024335-A1 METHOD FOR PREPARING ORGANIC AND INORGANIC HYDROXIDES AND ALKOXIDES BY ELECTROLYSIS SACHEM, INC. (US) 1994-10-27 WO disclosed
US-5286354-A With reducing agent in acidic anolyte to prevent accumulation of halogen SACHEM, INC. (US) 1994-02-15 US disclosed
EP-0425582-A1 IMPROVED PROCESS FOR PREPARING QUATERNARY AMMONIUM HYDROXIDES SACHEM, INC. (US) 1991-05-08 EP disclosed
US-4917781-A Process for preparing quaternary ammonium hydroxides SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-04-17 US disclosed
WO-1990001076-A1 IMPROVED PROCESS FOR PREPARING QUATERNARY AMMONIUM HYDROXIDES SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-02-08 WO disclosed