Hydrochloric Acid

Hydrochloric Acid

SCHEMBL814487

CC1=C(C)C(C)C([Zr](C2=CC=CC2)=C(Cc2ccccc2)Cc2ccccc2)=C1C.Cl.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
SCHEMBL7182776 0.99
SCHEMBL6877699 0.83
Hydrochloric Acid SCHEMBL6755084 0.81
SCHEMBL6865942 0.81
Hydrochloric Acid SCHEMBL647406 0.78
SCHEMBL8661615 0.76
SCHEMBL6862486 0.74
Hydrochloric Acid SCHEMBL6758848 0.72
SCHEMBL6864804 0.71
Biphenyl SCHEMBL7194862 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464670-B1 PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS CHEMTURA CORP (US) 2014-11-19 EP claimed
EP-2464670-A1 PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS Chemtura Corporation (US) 2012-06-20 EP claimed
US-8067652-B2 Processes for controlling the viscosity of polyalphaolefins CHEMTURA CORPORATION (US) 2011-11-29 US claimed
WO-2011019541-A1 PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS CHEMTURA CORPORATION (US) 2011-02-17 WO claimed
US-20110040052-A1 Processes for Controlling the Viscosity of Polyalphaolefins LANXESS SOLUTIONS US INC. 2011-02-17 US claimed
EP-2464670-B1 PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS CHEMTURA CORP (US) 2014-11-19 EP disclosed
EP-2395028-A1 Process for removal of residual catalyst components Chemtura Corporation (US) 2011-12-14 EP disclosed
US-8067652-B2 Processes for controlling the viscosity of polyalphaolefins CHEMTURA CORPORATION (US) 2011-11-29 US disclosed
EP-2059538-B1 PROCESS FOR REMOVAL OF RESIDUAL CATALYST COMPONENTS CHEMTURA CORP (US) 2011-10-19 EP disclosed
US-7943807-B2 Controlling branch level and viscosity of polyalphaolefins with propene addition CHEMTURA CORPORATION (US) 2011-05-17 US disclosed
US-20110040052-A1 Processes for Controlling the Viscosity of Polyalphaolefins LANXESS SOLUTIONS US INC. 2011-02-17 US disclosed
US-7601255-B2 Process for removal of residual catalyst components CHEMTURA CORPORATION (US) 2009-10-13 US disclosed
EP-1453870-A1 PROCESS FOR THE OLIGOMERIZATION OF $g(a)OLEFINS HAVING LOW UNSATURATION, THE RESULTING POLYMERS, AND LUBRICANTS CONTAINING SAME Uniroyal Chemical Company, Inc. (US) 2004-09-08 EP disclosed
US-20040157752-A1 Process for the oligomerization of alpha-olefins having low unsaturation, the resulting polymers, and lubricants containing same UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2004-08-12 US disclosed
US-6713582-B2 COPOLYMERIZING ALPHA -OLEFIN (SUCH AS 1-DECENE) AND AT BULKY OLEFIN (SUCH AS NORBORNENE) IN THE PRESENCE OF HYDROGEN AND CATALYST COMPRISING THE PRODUCT OBTAINED BY COMBINING METALLOCENE PROCATALYST WITH A COCATALYST UNIROYAL CHEMICAL COMPANY, INC. 2004-03-30 US disclosed
US-20030149203-A1 Process for the oligomerization of alpha-olefins having low unsaturation, the resulting polymers, and lubricants containing same UNIROYAL CHEMICAL COMPANY, INC. 2003-08-07 US disclosed
WO-2003051943-A1 PROCESS FOR THE OLIGOMERIZATION OF αOLEFINS HAVING LOW UNSATURATION, THE RESULTING POLYMERS, AND LUBRICANTS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2003-06-26 WO disclosed
US-6225426-B1 LIQUID PHASE POLYMERIZATION OF ETHYLENE, ALPHA-OLEFIN AND DIENE IN PRESENCE OF CATALYST COMPRISING MIXTURE OF METALLOCENE PROCATALYST AND ALUMINOXANE OR ALUMINOXANE AND TRIALKYLALUMINUM COMPOUND TOPRODUCE ELASTOMER UNIROYAL CHEMICAL COMPANY, INC. 2001-05-01 US disclosed
US-6147025-A SUBSTITUTING PART OR ALL OF THE ALUMINOXANE COCATALYST WITH A CATION-GENERATING COCATALYST UNIROYAL CHEMICAL COMPANY, INC, (US) 2000-11-14 US disclosed
US-6136744-A CATION-GENERATING COCATALYST COMPRISES A METAL COMPONENT, E.G., AN ALUMINUM COMPOUND, (2) A NEUTRAL METAL CONTAINING COMPONENT, E.G., A BORANE COMPOUND, AND (3) AN ANIONIC METAL COMPONENT, E.G., A METAL TETRAKIS(TETRAFLUOROPHENYL)BORATE. UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-10-24 US disclosed