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 | |
|---|---|---|---|---|
| SCHEMBL5525660 | 0.67 | — | — | |
| SCHEMBL162347 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9860718 | 0.64 | — | — | |
| SCHEMBL19439417 | 0.64 | — | — | |
| SCHEMBL9651359 | 0.64 | — | — | |
| SCHEMBL9843394 | 0.61 | — | — | |
| SCHEMBL3221560 | 0.60 | — | — | |
| SCHEMBL2404941 | 0.58 | — | — | |
| SCHEMBL3668891 | 0.58 | — | — | |
| SCHEMBL16933821 | 0.57 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1780229-B1 | Composition and process for forming a flexible polyurethane foam sealing device | BASF SE (DE) | 2009-04-01 | — | — | EP | disclosed |
| US-7326738-B2 | Composition and process for forming a flexible polyurethane foam sealing device | BASF CORPORATION (US) | 2008-02-05 | — | — | US | disclosed |
| EP-1780229-A1 | Composition and process for forming a flexible polyurethane foam sealing device | BASF AKTIENGESELLSCHAFT (DE) | 2007-05-02 | — | — | EP | disclosed |
| US-20060025488-A1 | Composition and process for forming a flexible polyurethane foam sealing device | BASF CORPORATION | 2006-02-02 | — | — | US | disclosed |
| US-5672635-A | POLYETHERURETHANE COPOLYMER MOLDING MATERIAL; HARDNESS, COMPRESSIVE STRENGTH | BASF CORPORATION (US) | 1997-09-30 | — | — | US | disclosed |
| US-5665288-A | Method of making water-blown polyurethane sealing devices | BASF CORPORATION (US) | 1997-09-09 | — | — | US | disclosed |
| US-5539010-A | MOLDING | BASF CORPORATION (US) | 1996-07-23 | — | — | US | disclosed |
| US-5539009-A | MOLDING MATERIALS | BASF CORPORATION (US) | 1996-07-23 | — | — | US | disclosed |
| US-5532403-A | PRODUCT OF DIPHENYLMETHANE DIISOCYANATE, ETHOXYLATED AND PROPOXYLATED GLYCERINE, AND URETONIMINE AND CARBODIIMIDE CONTAINING MOLECULES; HARDNESS, COMPRESSIVE STRENGTH; MOLDING | BASF CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| US-5532285-A | MOLDED POLYURETHANE ARTICLE FORMED FROM /1/PREPOLYMER MADE BY REACTING DIPHENYLMETHANE DIISOCYANATE/S/, URETONIMINES AND CARBODIIMIDES WITH ETHOXYLATED PROPOXYLATED GLYCERIN, /2/ISOCYANATE-REACTIVE COMPONENT, /3/CHAIN EXTENDER, /4/WATER | BASF CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| US-5530034-A | IMPROVED HARDNESS, STRENGTH AND COMPRESSION | BASF CORPORATION (US) | 1996-06-25 | — | — | US | disclosed |
| US-5510053-A | ISOCYANATE PREPOLYMER BLENDS COMPRISING URETONIMINE-CONTAINING AND CARBODIIMIDE CONTAINING MOLECULES; GASKETS; HARDNESS, COMPRESSIVE STRENGTH | BASF CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |