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 | |
|---|---|---|---|---|
| SCHEMBL74788 | 0.95 | — | — | |
| SCHEMBL28522698 | 0.90 | — | — | |
| SCHEMBL5004 | 0.90 | — | — | |
| Fluoride SCHEMBL28811646 | 0.90 | — | — | |
| Formic Acid SCHEMBL31235515 | 0.82 | — | — | |
| SCHEMBL17255905 | 0.73 | AKR1B1 (0.45) | — | |
| SCHEMBL27967099 | 0.70 | — | — | |
| SCHEMBL9045911 | 0.70 | — | — | |
| SCHEMBL3302057 | 0.70 | — | — | |
| SCHEMBL8261491 | 0.67 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119874465-A | New method for synthesizing fluoroalkyl substituted 4,4' -diaminodiphenyl methane compound | 海南大学 | 2025-04-25 | — | — | CN | claimed |
| CN-119143587-A | Preparation method of difluoroacetaldehyde hydrate | 山东华安新材料有限公司 | 2024-12-17 | — | — | CN | claimed |
| CN-119874465-A | New method for synthesizing fluoroalkyl substituted 4,4' -diaminodiphenyl methane compound | 海南大学 | 2025-04-25 | — | — | CN | disclosed |
| CN-119143587-A | Preparation method of difluoroacetaldehyde hydrate | 山东华安新材料有限公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-119143587-A | Preparation method of difluoroacetaldehyde hydrate | 山东华安新材料有限公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-119143587-A | Preparation method of difluoroacetaldehyde hydrate | 山东华安新材料有限公司 | 2024-12-17 | — | — | CN | disclosed |
| US-8637673-B2 | Method for producing 2,2-difluoroethylamine derivatives by imine hydrogenation | BAYER CROPSCIENCE AG (DE) | 2014-01-28 | — | — | US | disclosed |
| EP-2408746-B1 | Method for manufacturing 2,2-difluoroethylamine derivatives by imine hydrogenation | BAYER CROPSCIENCE AG (DE) | 2013-07-17 | — | — | EP | disclosed |
| US-20120022264-A1 | METHOD FOR PRODUCING 2,2 DIFLUOROETHYLAMINE DERIVATIVES BY IMINE HYDROGENATION | BAYER CROPSCIENCE AG (DE) | 2012-01-26 | — | — | US | disclosed |
| EP-2408746-A1 | METHOD FOR PRODUCING 2,2 DIFLUOROETHYLAMINE DERIVATIVES BY IMINE HYDROGENATION | Bayer CropScience Aktiengesellschaft (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010105747-A1 | METHOD FOR PRODUCING 2,2 DIFLUOROETHYLAMINE DERIVATIVES BY IMINE HYDROGENATION | BAYER CROPSCIENCE AG (DE) | 2010-09-23 | — | — | WO | disclosed |
| EP-2230231-A1 | Method for manufacturing 2,2-difluoroethylamine derivatives by imine hydrogenation | Bayer CropScience AG (DE) | 2010-09-22 | — | — | EP | disclosed |
| US-20030144524-A1 | With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and | RHODIA CHIMIE, FRANCE | 2003-07-31 | — | — | US | disclosed |
| US-6541674-B2 | Electron-withdrawing group present on carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitrites and condensation is carried out in basic medium | RHODIA CHIMIE (FR) | 2003-04-01 | — | — | US | disclosed |
| US-20010004670-A1 | Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium | RHODIA CHIMIE (FR) | 2001-06-21 | — | — | US | disclosed |
| EP-1082284-A1 | CONDENSATION METHOD FOR A CARBONYL COMPOUND ON AN AROMATIC DERIVATIVE IN A BASIC MEDIUM | RHODIA CHIMIE (FR) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062853-A1 | CONDENSATION METHOD FOR A CARBONYL COMPOUND ON AN AROMATIC DERIVATIVE IN A BASIC MEDIUM | RHODIA CHIMIE (FR) | 1999-12-09 | — | — | WO | disclosed |