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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2778841 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7343045 | 0.96 | — | — | |
| Bromide SCHEMBL28365383 | 0.96 | — | — | |
| SCHEMBL189912 | 0.95 | — | — | |
| SCHEMBL1794749 | 0.95 | — | — | |
| SCHEMBL28123087 | 0.91 | — | — | |
| SCHEMBL28066773 | 0.91 | — | — | |
| Propane SCHEMBL4430157 | 0.91 | — | — | |
| SCHEMBL28967859 | 0.91 | — | — | |
| SCHEMBL27853946 | 0.91 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014022454-A1 | ORGANOCATALYTIC CARBONYL-OLEFIN AND OLEFIN-OLEFIN METATHESIS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-02-06 | — | — | WO | disclosed |
| CN-1891192-B | Composition for dyeing keratin fibers, comprising a diamino-n,n-dihydropyrazolone compound, a coupler, and a polyol | OREAL | 2011-11-16 | — | — | CN | disclosed |
| CN-1915214-B | Composition for dyeing keratin fibers, comprising at least one diamino-n,n-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye | OREAL | 2011-11-16 | — | — | CN | disclosed |
| CN-1899248-B | Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer | OREAL | 2010-12-01 | — | — | CN | disclosed |
| CN-1899247-B | Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a color coupling agent and a selected surface-active agent | OREAL | 2010-10-13 | — | — | CN | disclosed |
| US-7582121-B2 | Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye | L'OREAL S.A. (FR) | 2009-09-01 | — | — | US | disclosed |
| US-7488355-B2 | Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol | L'OREAL S.A. (FR) | 2009-02-10 | — | — | US | disclosed |
| US-7488356-B2 | Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant | L'OREAL S.A. (FR) | 2009-02-10 | — | — | US | disclosed |
| US-7485156-B2 | Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer | L'OREAL S.A. (FR) | 2009-02-03 | — | — | US | disclosed |
| EP-1214070-A4 | POLYHYDROXYLATED BENZENE-CONTAINING COMPOUNDS | ARCH DEV CORP (US) | 2008-07-16 | — | — | EP | disclosed |
| US-20030139477-A1 | Polyhydroxylated benzene-containing compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-07-24 | — | — | US | disclosed |
| EP-0736526-B1 | Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant | SHISEIDO CO LTD (JP) | 2003-02-12 | — | — | EP | disclosed |
| US-6495565-B2 | FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-12-17 | — | — | US | disclosed |
| EP-1263756-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-1214070-A2 | POLYHYDROXYLATED BENZENE-CONTAINING COMPOUNDS | Arch Development Corporation (US) | 2002-06-19 | — | — | EP | disclosed |
| US-20020013341-A1 | Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-01-31 | — | — | US | disclosed |
| WO-2001070734-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |
| WO-2001060319-A2 | POLYHYDROXYLATED BENZENE-CONTAINING COMPOUNDS | ARCH DEVELOPMENT CORPORATION (US) | 2001-08-23 | — | — | WO | disclosed |
| US-5849930-A | Pyrazolidine derivative radical scavenger brain-infarction depressant and brain-edema depressant | SHISEIDO CO., LTD. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0736526-A1 | Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant | SHISEIDO COMPANY LIMITED (JP) | 1996-10-09 | — | — | EP | disclosed |