Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3337503

CCCC(=O)OCC.Cl

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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
Hydrochloric Acid SCHEMBL27320633 1.00 ALDH1A1 (0.57)
Bromide SCHEMBL27374968 0.97 ALDH1A1 (0.55)
Hydrochloric Acid SCHEMBL27371342 0.97 ALDH1A1 (0.55)
SCHEMBL17449766 0.97
SCHEMBL10901590 0.97 ALDH1A1 (0.60)
SCHEMBL1866106 0.97 ALDH1A1 (0.60)
SCHEMBL6115 0.97
SCHEMBL23930216 0.94
SCHEMBL1506847 0.94
SCHEMBL22288371 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022008971-A2 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO Costa Rican Social Security Fund / Caja Costarricense de Seguro Social (CCSS) (CR) 2022-01-13 WO disclosed
CN-110240561-A A kind of preparation method of the 3- pyridone of low cost 新发药业有限公司 2019-09-17 CN disclosed
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 CN disclosed
CN-104306974-B The method of the ephrosis for the treatment of contrast agent induction 诺华股份有限公司 2017-06-13 CN disclosed
US-9561272-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2017-02-07 US disclosed
CN-103896796-B As the alanine derivatives of the replacement of enkephalinase inhibitor NOVARTIS AG (CH) 2016-04-27 CN disclosed
CN-105008337-A Substituted bisphenyl butanoic acid derivatives as NEP inhibitors with improved in vivo efficacy NOVARTIS AG 2015-10-28 CN disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 US disclosed
US-20150202285-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES THE UNIVERSITY OF QUEENSLAND (AU) 2015-07-23 US disclosed
US-9017697-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-28 US disclosed
CN-1468215-A 5-amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation ����ҩƷ��ҵ��ʽ���� 2004-01-14 CN disclosed
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN disclosed
CN-1372553-A Novel thiazine or pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2002-10-02 CN disclosed
CN-1075388-C Cascade polymers with iodine aromatic compounds SCHERING AG (DE) 2001-11-28 CN disclosed
CN-1043647-C Novel peptide compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-06-16 CN disclosed
CN-1200736-A Peptide derivatives DAIICHI SEIYAKU CO (JP) 1998-12-02 CN disclosed
CN-1182419-A Novel pyridine derivatives and medicine containing the same as active ingredient SS PHARMACEUTICAL CO (JP) 1998-05-20 CN disclosed
CN-1137759-A Cascade polymers with iodine aromatic compounds SCHERING AG (DE) 1996-12-11 CN disclosed
CN-1032308-C Process for preparing optically active 2-oxoimidazolidine derivatives TANABE SEIYAKU CO (JP) 1996-07-17 CN disclosed
US-4607123-A X-RAY CONTRAST AGENTS DR. FRANZ KOHLER CHEMIE GMBH (DE) 1986-08-19 US disclosed