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 | |
|---|---|---|---|---|
| SCHEMBL1669939 | 0.96 | — | — | |
| Bromide SCHEMBL11784068 | 0.93 | — | — | |
| SCHEMBL127085 | 0.71 | — | — | |
| SCHEMBL471965 | 0.69 | — | — | |
| SCHEMBL5224306 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL250899 | 0.69 | — | — | |
| SCHEMBL29681517 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11274378 | 0.69 | — | — | |
| SCHEMBL2568321 | 0.69 | — | — | |
| SCHEMBL29264003 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0471251-B1 | Use of ester groups containing polyisocyanates as hot melt adhesive | BAYER AG (DE) | 1995-05-10 | — | — | EP | claimed |
| EP-0412380-B1 | Polyisocyanates or mixtures of polyisocyanates with estergroups, a process for the preparation of such isocyanates or such mixtures of polyisocyanates and their utilization for polyurethane lacquers | BAYER AG (DE) | 1993-10-27 | — | — | EP | claimed |
| EP-0321841-B1 | ESTER URETHANE (MET)ACRYLIC-ACID DERIVATIVES | BAYER AG (DE) | 1993-04-14 | — | — | EP | claimed |
| US-5142081-A | PROCESS FOR THE PREPARATION OF O-SILYLATED HYDROXYL COMPOUNDS AND THEIR USE FOR THE PREPARATION OF ISOCYANATES CONTAINING ESTER GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | claimed |
| EP-0302341-B1 | ISOCYANATO-ACYL URETHANES, THEIR PREPARATION AND USE | BAYER AG (DE) | 1992-05-06 | — | — | EP | claimed |
| US-5096994-A | POLYISOCYANATES CONTAINING ESTER GROUPS, A PROCESS FOR THE PRODUCTION OF THESE POLYISOCYANATES AND THEIR USE IN POLYURETHANE COATING COMPOSITIONS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | claimed |
| US-4904750-A | Ester-urethane derivatives of (meth)-acrylic acid for dental materials | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | claimed |
| US-4745212-A | ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | claimed |
| JP-2300225-A | — | — | None | — | — | JP | disclosed |
| EP-1320565-B1 | CLEARCOAT COMPOSITION WITH IMPROVED SCRATCH AND MAR RESISTANCE | BASF CORP (US) | 2006-05-24 | — | — | EP | disclosed |
| US-20040214910-A1 | FOAM PLASTIC FROM DISPOSABLE PRESSURIZED CONTAINERS | KLUTH HERMANN (DE) | 2004-10-28 | — | — | US | disclosed |
| EP-1320565-A1 | CLEARCOAT COMPOSITION WITH IMPROVED SCRATCH AND MAR RESISTANCE | BASF CORPORATION (US) | 2003-06-25 | — | — | EP | disclosed |
| US-6395860-B1 | WEAR RESISTANT POLYESTERURETHANE COATINGS | BASF CORPORATION | 2002-05-28 | — | — | US | disclosed |
| WO-2002026855-A1 | CLEARCOAT COMPOSITION WITH IMPROVED SCRATCH AND MAR RESISTANCE | BASF CORPORATION (US) | 2002-04-04 | — | — | WO | disclosed |
| US-4895920-A | ISOCYANATES WITH AT LEAST TWO PHENYLENE GROUPS AND AT LEAST TWO ESTER GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-23 | — | — | US | disclosed |
| US-4886902-A | HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-12 | — | — | US | disclosed |
| US-4870198-A | SILYLATED ALCOHOL OR CARBOXYL GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-26 | — | — | US | disclosed |
| US-4745212-A | ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |
| US-4745212-A | ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |
| US-4009152-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |