Hydrochloric Acid

Hydrochloric Acid

SCHEMBL727675

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Ru]=C2C=C(c3ccccc3)c3ccccc32)c(C)c1.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
SCHEMBL4454087 0.99
Hydrochloric Acid SCHEMBL15512413 0.87 PSMB5 (0.33)
SCHEMBL19547128 0.86 PSMB5 (0.34)
Hydrochloric Acid SCHEMBL729368 0.85
SCHEMBL14995044 0.84
Hydrochloric Acid SCHEMBL1277232 0.81
SCHEMBL1928364 0.80
SCHEMBL29699282 0.80
Hydrochloric Acid SCHEMBL7620278 0.76
SCHEMBL994818 0.73 PTPN1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077433-B1 FUNCTIONALIZED RESINS FOR HIGH PERFORMANCE TIRES EXXONMOBIL CHEMICAL PATENTS INC (US) 2022-04-20 EP claimed
US-10384987-B2 1,3-butadiene synthesis ARLANXEO DEUTSCHLAND GMBH (DE) 2019-08-20 US claimed
EP-3233768-B1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2019-02-20 EP claimed
US-9840569-B2 Spacer groups for functionalized resins in tires EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-12 US claimed
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-16 US claimed
EP-2897992-B1 FUNCTIONALIZED RESINS OBTAINED VIA OLEFIN METATHESIS EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-11-08 EP claimed
US-20170051085-A1 Spacer Groups for Functionalized Resins in Tires EXXONMOBIL CHEMICAL PATENTS INC. 2017-02-23 US claimed
EP-3077433-A1 FUNCTIONALIZED RESINS FOR HIGH PERFORMANCE TIRES ExxonMobil Chemical Patents Inc. (US) 2016-10-12 EP claimed
US-20160289352-A1 Functionalized Resins for High Performance Tires EXXONMOBIL CHEMICAL PATENTS INC. 2016-10-06 US claimed
EP-3034486-A1 1,3-butadiene synthesis LANXESS Deutschland GmbH (DE) 2016-06-22 EP claimed
US-20130041122-A1 Polymers Prepared By Ring Opening / Cross Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2013-02-14 US claimed
US-20130030126-A1 Olefin Functionalization By Metathesis Reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-01-31 US claimed
US-8283419-B2 Olefin functionalization by metathesis reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-09 US claimed
WO-2012134722-A2 DIBLOCK COPOLYMERS PREPARED BY CROSS METATHESIS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-04 WO claimed
US-20120245290-A1 Diblock Copolymers Prepared by Cross Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US claimed
US-20120245294-A1 Olefin Triblock Polymers via Ring-Opening Metathesis Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US claimed
JP-2011525213-A 2011-09-15 JP claimed
EP-2318446-A2 OLEFIN FUNCTIONALIZATION BY METATHESIS REACTION ExxonMobil Chemical Patents Inc. (US) 2011-05-11 EP claimed
US-20090318647-A1 Olefin Functionalization By Metathesis Reaction EXXONMOBIL CHEMICAL PATENTS INC. 2009-12-24 US claimed
WO-2009155517-A2 OLEFIN FUNCTIONALIZATION BY METATHESIS REACTION EXXONMOBIL CHEMICAL PATENT INC. (US) 2009-12-23 WO claimed