Acetic Acid

Acetic Acid

SCHEMBL1838684

C=CC[Pd+].CC(=O)[O-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. 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
Acetic Acid SCHEMBL4557323 0.77 CA1 (0.47)
Trifluoroacetic Acid SCHEMBL1451382 0.76 CA4 (0.32)
Acetic Acid SCHEMBL2362050 0.74
Acetic Acid SCHEMBL27554638 0.73
Acetic Acid SCHEMBL11428383 0.72 CA1 (0.42)
Acetic Acid SCHEMBL367270 0.72 BBOX1 (0.45)
Acetic Acid SCHEMBL10897881 0.71
Acetic Acid SCHEMBL18918221 0.71 CA1 (0.57)
Acetic Acid SCHEMBL31411993 0.71 CA1 (0.57)
Acetic Acid SCHEMBL28851508 0.71 CA1 (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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115790-B2 Method for the production of 1-octene by reductive telomerisation OXENO OLEFINCHEMIE GMBH (DE) 2006-10-03 US claimed
EP-4428884-A1 ELECTRIC OR ELECTRONIC DEVICE, METHOD FOR PRODUCING ELECTRIC OR ELECTRONIC DEVICE, AND APPARATUS COMPRISING SAID ELECTRIC OR ELECTRONIC DEVICE The University of Tokyo (JP) 2024-09-11 EP disclosed
US-12073957-B2 Conductor material THE UNIVERSITY OF TOKYO (JP) 2024-08-27 US disclosed
CN-118140288-A Electrical or electronic device, method for manufacturing electrical or electronic device, and apparatus provided with electrical or electronic device 国立大学法人东京大学 2024-06-04 CN disclosed
CN-115461415-B conductor material 国立大学法人东京大学 2023-11-14 CN disclosed
US-20230170107-A1 CONDUCTOR MATERIAL THE UNIVERSITY OF TOKYO (JP) 2023-06-01 US disclosed
WO-2023080040-A1 ELECTRIC OR ELECTRONIC DEVICE, METHOD FOR PRODUCING ELECTRIC OR ELECTRONIC DEVICE, AND APPARATUS COMPRISING SAID ELECTRIC OR ELECTRONIC DEVICE 国立大学法人東京大学 2023-05-11 WO disclosed
CN-115461415-A Conductor material 国立大学法人东京大学 2022-12-09 CN disclosed
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP disclosed
US-8558030-B2 Process for telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
WO-2010019360-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 WO disclosed
US-7115790-B2 Method for the production of 1-octene by reductive telomerisation OXENO OLEFINCHEMIE GMBH (DE) 2006-10-03 US disclosed
US-7030286-B2 Reacting 1,3-butadiene with a telogen such as methanol, using a telomerization catalyst to form a telomer, partially hydrogenating the telomer to form a 1-substituted 2-octene and dissociating it to give 1-octene OXENO OLEFINCHEMIE GMBH (DE) 2006-04-18 US disclosed
US-20050065387-A1 Method for the production of 1-octene by reductive telomerisation OXENO OLEFINCHEMIE GMBH (DE) 2005-03-24 US disclosed
EP-1358140-B1 METHOD FOR PRODUCING 1-OCTEN OXENO OLEFINCHEMIE GMBH (DE) 2004-12-29 EP disclosed
EP-1446374-A1 METHOD FOR THE PRODUCTION OF 1-OCTENE BY REDUCTIVE TELOMERISATION Oxeno Olefinchemie GmbH (DE) 2004-08-18 EP disclosed
US-20040059170-A1 Method for producing 1-octen OXENO OLEFINCHEMIE GMBH (DE) 2004-03-25 US disclosed
EP-1358140-A1 METHOD FOR PRODUCING 1-OCTEN Oxeno Olefinchemie GmbH (DE) 2003-11-05 EP disclosed
WO-2003031378-A1 METHOD FOR THE PRODUCTION OF 1-OCTENE BY REDUCTIVE TELOMERISATION OXENO OLEFINCHEMIE GMBH (DE) 2003-04-17 WO disclosed
WO-2002062732-A1 METHOD FOR PRODUCING 1-OCTEN OXENO OLEFINCHEMIE GMBH (DE) 2002-08-15 WO disclosed