Acetic Acid

Acetic Acid

SCHEMBL8619684

CC(=O)O.ClC(Cl)Cl.[Pd]

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 SCHEMBL1591297 0.96 FFAR3 (0.64)
Acetic Acid SCHEMBL28301301 0.96 FFAR3 (0.64)
Acetic Acid SCHEMBL694363 0.96
Acetic Acid SCHEMBL5555814 0.92 FFAR3 (0.58)
Acetic Acid SCHEMBL59229 0.92 FFAR3 (0.58)
Acetic Acid SCHEMBL8187512 0.92 FFAR3 (0.58)
Acetic Acid SCHEMBL389983 0.92 FFAR3 (0.58)
Acetic Acid SCHEMBL10906963 0.92 FFAR3 (0.58)
Acetic Acid SCHEMBL7183838 0.92
Acetic Acid SCHEMBL9444845 0.92 FFAR3 (0.58)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623552-B1 Process for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL CO (JP) 1998-01-07 EP disclosed
EP-0498166-B1 A method for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL CO (JP) 1995-09-06 EP disclosed
US-5399334-A Process for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-03-21 US disclosed
US-5180573-A Water-insoluble halogen compound adsorbed onto platinum-group metal catalyst carrier; oxidation of hydrogen MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-01-19 US disclosed
EP-0498166-A1 A method for producing hydrogen peroxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-08-12 EP disclosed
US-4988412-A ELECTRODEPOSITION OF METALS, MULTILAYER ELEMENT, PATTERNS GENERAL ELECTRIC COMPANY (US) 1991-01-29 US disclosed