Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2107550

CC(=O)OC(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
Hydrochloric Acid SCHEMBL6556663 1.00
Methane SCHEMBL27572875 0.97 TSHR (0.88)
SCHEMBL19193 0.97
SCHEMBL21064874 0.97 TSHR (1.00)
SCHEMBL4431010 0.93 TSHR (0.93)
Methyl Alcohol SCHEMBL584909 0.93
Ammonia Solution, Strong SCHEMBL5086843 0.93
Water SCHEMBL1289230 0.93
SCHEMBL28881770 0.93
SCHEMBL1278490 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110668952-B Preparation method of benzphetamine hydrochloride 安徽贝克制药股份有限公司 2023-06-27 CN claimed
CN-110655466-B Preparation method of benzphetamine hydrochloride 安徽贝克制药股份有限公司 2023-02-24 CN claimed
CN-111018723-B Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2022-03-08 CN claimed
CN-111018723-A Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2020-04-17 CN claimed
CN-110668952-A Preparation method of benzphetamine hydrochloride 安徽贝克联合制药有限公司 2020-01-10 CN claimed
CN-110655466-A Preparation method of benzphetamine hydrochloride 安徽贝克联合制药有限公司 2020-01-07 CN claimed
CN-107445951-A A kind of preparation method and purposes of sulfuric acid Chinese mugwort Saperconazole diastereoisomer impurity 上海键合医药科技有限公司 2017-12-08 CN claimed
CN-101948441-B Novel preparation method of Erlotinib hydrochloride with crystal form A JIANGSU SIMCERE PHARM RES CO 2012-07-25 CN claimed
CN-101948441-A Novel preparation method of Erlotinib hydrochloride with crystal form A JIANGSU SIMCERE PHARM RES CO 2011-01-19 CN claimed
CN-119431222-A Method for asymmetrically synthesizing chiral intermediate of ubenimpam 杭州澳赛诺生物科技有限公司 2025-02-14 CN disclosed
CN-111655709-B Synthesis of antibacterial aminoglycoside analogs 轩竹(北京)医药科技有限公司 2024-01-02 CN disclosed
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process INDUSTRIALE CHIMICA S.R.L. (IT) 2023-12-12 US disclosed
CN-110668952-B Preparation method of benzphetamine hydrochloride 安徽贝克制药股份有限公司 2023-06-27 CN disclosed
CN-110655466-B Preparation method of benzphetamine hydrochloride 安徽贝克制药股份有限公司 2023-02-24 CN disclosed
US-6355611-B1 SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-12 US disclosed
US-20010038823-A1 MICROPARTICLES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN ULTRASOUND DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-08 US disclosed
WO-2001030804-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2001029065-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LIMITED (GB) 2001-04-26 WO disclosed
WO-2001028593-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-04-26 WO disclosed
CN-1100098-A 2-amino-4-quinolyl-dihydropyridines, processes for their preparation, and their use BAYER AG (DE) 1995-03-15 CN disclosed