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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL302 | 0.93 | — | — | |
| SCHEMBL7126192 | 0.86 | — | — | |
| Iodide SCHEMBL5577051 | 0.86 | — | — | |
| SCHEMBL31612804 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL15540045 | 0.86 | — | — | |
| Methane SCHEMBL1818230 | 0.86 | — | — | |
| SCHEMBL34224 | 0.86 | — | — | |
| Phosphine SCHEMBL10394278 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL2479918 | 0.86 | — | — | |
| SCHEMBL4814228 | 0.86 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110668948-B | Preparation method of 4-chloro-2-fluoro-5-nitroacetophenone | 苏州敬业医药化工有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-110668948-A | Preparation method of 4-chloro-2-fluoro-5-nitroacetophenone | 苏州敬业医药化工有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-105218436-B | A method of preparing 4- Chloro-2-Pyridyle methyl formate | 济南诚汇双达化工有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-108003036-A | A kind of preparation method of 2-chloroethyl amine hydrochloride | 山东泰和水处理科技股份有限公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-107400087-A | A kind of preparation method of 1 (2 (4 (chloromethyl) phenoxy group) ethyl) azepan hydrochloride | 济南美高生物医药科技有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105873932-B | (6S,9aS) -N-benzyl-6- [ (4-hydroxyphenyl) methyl ] -4, 7-dioxo-8- ({6- [3- (piperazin-1-yl) azetidin-1-yl ] pyridin-2-yl } methyl) -2- (prop-2-en-1-yl) -octahydro-1H-pyrazino [2,1-c ] [1,2,4] triazine-1-carboxamide compound | 卫材R&D管理有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-106565560-A | Synthesis process of mesotrione | 湖北广富林生物制剂有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106565561-A | 2-nitro-4-methylsulfonylbenzoylchloride synthesizing process | 湖北广富林生物制剂有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106187910-A | Pyridazine class derivant and its production and use | 浙江大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-105873932-A | (6S,9aS) -N-benzyl-6- [ (4-hydroxyphenyl) methyl ] -4, 7-dioxo-8- ({6- [3- (piperazin-1-yl) azetidin-1-yl ] pyridin-2-yl } methyl) -2- (prop-2-en-1-yl) -octahydro-1H-pyrazino [2,1-c ] [1,2,4] triazine-1-carboxamide compound | 卫材R&D管理有限公司 | 2016-08-17 | — | — | CN | disclosed |
| US-6790991-B2 | FOMESAFEN PRODUCED BY NITRATING 3-(2-CHLORO-A,A,A-TRIFLUORO-4-TOLYLOXY)-BENZOIC ACID TO FORM ACIFLUORFEN, CONVERTING TO ITS ACID CHLORIDE, AND THEN REACTION WITH METHANESULFONAMIDE | SYNGENTA LIMITED (GB) | 2004-09-14 | — | — | US | disclosed |
| US-20030045754-A1 | Process for the preparation of diphenyl ether compounds | SYNGENTA LIMITED (GB) | 2003-03-06 | — | — | US | disclosed |
| EP-1246796-A1 | PROCESS FOR THE PREPARATION OF DIPHENYL ETHER COMPOUNDS | Syngenta Limited (GB) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001046130-A1 | PROCESS FOR THE PREPARATION OF DIPHENYL ETHER COMPOUNDS | SYNGENTA LIMITED (GB) | 2001-06-28 | — | — | WO | disclosed |
| EP-0766687-A1 | PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON GROUP S.p.A. (IT) | 1997-04-09 | — | — | EP | disclosed |
| WO-1995035302-A1 | PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON GROUP S.P.A. (IT) | 1995-12-28 | — | — | WO | disclosed |
| US-4593098-A | Piperazinone and piperazine polypeptides | THE UPJOHN COMPANY (US) | 1986-06-03 | — | — | US | disclosed |
| US-4534897-A | Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds | THE UPJOHN COMPANY (US) | 1985-08-13 | — | — | US | disclosed |
| US-4351888-A | ELECTROLYTE CONTAINS AN INSOLUBLE ADDITIVE WHICH DISSOLVES WITH INCREASED HEAT TO LIMIT CURRENT | GTE LABORATORIES INCORPORATED (US) | 1982-09-28 | — | — | US | disclosed |
| US-4251438-A | ANALGESICS, PSYCHOTHERAPEUTIC AGENTS | THE UPJOHN COMPANY (US) | 1981-02-17 | — | — | US | disclosed |