Acetic Acid

Acetic Acid

SCHEMBL1838688

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
Butadiene SCHEMBL716219 0.79
Allyl Alcohol SCHEMBL5083734 0.78
Acetic Acid SCHEMBL9815980 0.78
Acetic Acid SCHEMBL11750370 0.78 FFAR3 (0.47)
Acetic Acid SCHEMBL6063417 0.78
Butadiene SCHEMBL3329730 0.76 FFAR3 (0.54)
Butadiene SCHEMBL22193911 0.76 FFAR3 (0.54)
Butadiene SCHEMBL11356506 0.76
Acetic Acid SCHEMBL10770743 0.75
Acetic Acid SCHEMBL9217270 0.75

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 13 patents. 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
US-20230170107-A1 CONDUCTOR MATERIAL THE UNIVERSITY OF TOKYO (JP) 2023-06-01 US 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
US-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (Formerly known as Dow Global Technologies Inc.) (US) 2011-06-09 US disclosed
EP-2321244-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2011-05-18 EP 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
US-20040059170-A1 Method for producing 1-octen OXENO OLEFINCHEMIE GMBH (DE) 2004-03-25 US disclosed