Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5152368

CC(N)C(O)(O)O.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
SCHEMBL157478 0.96
Fluoride SCHEMBL5015784 0.92
Water SCHEMBL2817750 0.92
Hydrochloric Acid SCHEMBL1369701 0.80
Hydrochloric Acid SCHEMBL1369704 0.80
Hydrochloric Acid SCHEMBL27370695 0.80
Hydrochloric Acid SCHEMBL1369896 0.80
Oxalic Acid SCHEMBL1052360 0.79 SLC7A5 (0.41)
SCHEMBL322175 0.75
SCHEMBL1153665 0.75

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 15 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
US-5853555-A Synthesis of onium hydroxides from onium salts SACHEM, INC. (US) 1998-12-29 US disclosed
US-5575901-A Process for preparing organic and inorganic hydroxides or alkoxides or ammonia or organic amines from the corresponding salts by electrolysis SACHEM, INC. (US) 1996-11-19 US 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
US-5124334-A Antiinflammatory agents, antiallergens DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-23 US disclosed
US-5075339-A Antiinflammatory agents, antiallergens DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-24 US disclosed
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 US disclosed
US-4948813-A Benzylketone phospholipase A2 inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed
US-4917781-A Process for preparing quaternary ammonium hydroxides SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) 1990-04-17 US disclosed
US-4859697-A Substituted acenaphthenes and their use as inhibitors of phospholipase A2 E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
US-4806671-A Substituted acenaphthenes and their use as inhibitors of phospholipase A2 E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-21 US disclosed