Acetaldehyde

Acetaldehyde

SCHEMBL93680

CC=O.O

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Acetaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compoundsimilaritytop predictedshared targets
Acetaldehyde SCHEMBL27375668 1.00
Acetaldehyde SCHEMBL27397124 1.00 TSHR (0.86)
Acetaldehyde SCHEMBL27689970 0.94
Acetaldehyde SCHEMBL29172889 0.94
Acetaldehyde SCHEMBL27577405 0.94
Acetaldehyde SCHEMBL25357134 0.94
Acetaldehyde SCHEMBL28278272 0.94
Acetaldehyde SCHEMBL28384585 0.94
Acetaldehyde SCHEMBL28104473 0.94
Acetaldehyde SCHEMBL28259329 0.94

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 372 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812035-A Fluoroacetaldehyde-oxygen-aryl oxime compound and synthesis method thereof 闽江学院 2021-05-18 CN claimed
US-20190315672-A1 PRODUCTION OF ACETIC ACID AND HYDROGEN IN AN AQUEOUS MEDIUM FROM ETHANOL AND ACETALDEHYDE VIA AN ORGANIC/INORGANIC CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-10-17 US claimed
EP-2822603-B1 DIAGNOSTIC MARKER COMPOUNDS AND THEIR USE THE UNIV OF LEEDS (GB) 2019-07-31 EP claimed
CN-106349033-B A kind of technique that trifluoro acetaldehyde hydrate is prepared by 1,1,1- trifluoroethane 西安近代化学研究所 2019-02-12 CN claimed
CN-109096121-A A kind of catalysis preparation method of trifluoroethylamine compound 张海英 2018-12-28 CN claimed
US-10080811-B2 Diagnostic marker compounds and their use UNIVERSITY OF LEEDS (GB) 2018-09-25 US claimed
CN-108558624-A The production method of trifluoro acetaldehyde hydrate 江苏蓝色星球环保科技股份有限公司 2018-09-21 CN claimed
WO-2017208098-A1 PRODUCTION OF ACETIC ACID AND HYDROGEN IN AN AQUEOUS MEDIUM FROM ETHANOL AND ACETALDEHYDE VIA AN ORGANIC/INORGANIC CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-12-07 WO claimed
CN-107365272-A A kind of novel imidazole class compound and preparation method thereof and application medically 陕西合成药业股份有限公司 2017-11-21 CN claimed
CN-105246515-B Hydrocolloid composition, wound dressing and the method for forming hydrocolloid composition 3M创新有限公司 2017-04-05 CN claimed
CN-1113955-C Hand laundry detergent compositions containing a combination of surfactant and soil release polymer PROCTER & GAMBLE (US) 2003-07-09 CN claimed
CN-1079824-C Ester oligomers suitable for use as soil release agents in detergent compositions PROCTER & GAMBLE (US) 2002-02-27 CN claimed
CN-1061368-C Soil release agents, detergent compositions containing them and their use PROCTER & GAMBLE (US) 2001-01-31 CN claimed
CN-1242796-A Laundry detergent compositions comprising soil release polymer PROCTER & GAMBLE (US) 2000-01-26 CN claimed
CN-1225385-A Method of reducing crystallization of oligomeric esters PROCTER & GAMBLE (US) 1999-08-11 CN claimed
CN-1225117-A Laundry compositions containing cationic surfactants and polyamine soil dispersants PROCTER & GAMBLE (US) 1999-08-04 CN claimed
CN-1129459-A Detergent composition containing soil release agent PROCTER & GAMBLE (US) 1996-08-21 CN claimed
CN-1124967-A Sulfonated ester oligomers suitable as dispersing agents in detergent compositions PROCTER & GAMBLE (US) 1996-06-19 CN claimed
CN-1066680-A NONIONIC SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1992-12-02 CN claimed
CN-1048060-A The fabric finishing agent and the preferred cationic soil release polymers that add when containing the rinsing of fabric softener and cationic polyester soil release polymers PROCTER & GAMBLE (US) 1990-12-26 CN claimed