Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| SCHEMBL216324 | 0.95 | — | — | |
| Iodide SCHEMBL28384897 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL9325772 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL30463044 | 0.86 | — | — | |
| Benzene SCHEMBL28900177 | 0.82 | TSHR (0.30) | — | |
| Ethylene Glycol SCHEMBL11138840 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL21843210 | 0.73 | — | — | |
| SCHEMBL6750335 | 0.71 | — | — | |
| SCHEMBL1452888 | 0.64 | — | — | |
| SCHEMBL14339210 | 0.64 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011506714-A | — | — | 2011-03-03 | — | — | JP | claimed |
| EP-2188320-A1 | DUAL CURE FORMULATIONS WITH COMPONENTS COMPRISING URETDIONE GROUPS | Evonik Degussa GmbH (DE) | 2010-05-26 | — | — | EP | claimed |
| WO-2009077222-A1 | DUAL CURE FORMULATIONS WITH COMPONENTS COMPRISING URETDIONE GROUPS | EVONIK DEGUSSA GMBH (DE) | 2009-06-25 | — | — | WO | claimed |
| WO-2017071933-A1 | COATING AGENT WITH MONOALLOPHANATES BASED ON ALKOXYSILANE-ALKYL ISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2017-05-04 | — | — | WO | disclosed |
| EP-2619257-A1 | PREPREGS BASED ON A STORAGE-STABLE REACTIVE OR HIGHLY REACTIVE POLYURETHANE COMPOSITION WITH A FIXED FILM, AND THE COMPOSITE COMPONENT PRODUCED THEREFROM | Evonik Degussa GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| EP-2619258-A1 | PREPREGS BASED ON A STORAGE-STABLE REACTIVE OR HIGHLY REACTIVE POLYURETHANE COMPOSITION | Evonik Degussa GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038203-A1 | PREPREGS BASED ON A STORAGE-STABLE REACTIVE OR HIGHLY REACTIVE POLYURETHANE COMPOSITION | EVONIK DEGUSSA GMBH (DE) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038201-A1 | PREPREGS BASED ON A STORAGE-STABLE REACTIVE OR HIGHLY REACTIVE POLYURETHANE COMPOSITION WITH A FIXED FILM, AND THE COMPOSITE COMPONENT PRODUCED THEREFROM | EVONIK DEGUSSA GMBH (DE) | 2012-03-29 | — | — | WO | disclosed |
| EP-2411439-A1 | PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE | Evonik Degussa GmbH (DE) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108723-A1 | PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE | EVONIK DEGUSSA GMBH (DE) | 2010-09-30 | — | — | WO | disclosed |