Acetic Acid

Acetic Acid

SCHEMBL1680190

CC(=O)[O-].O=CO.[Na+]

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 SCHEMBL7699130 0.92
Acetic Acid SCHEMBL27413211 0.92 CA1 (0.61)
Acetic Acid SCHEMBL28245878 0.92 CA1 (0.61)
Acetic Acid SCHEMBL6852076 0.92
Acetic Acid SCHEMBL11138126 0.89 CA1 (0.57)
Acetic Acid SCHEMBL8860331 0.89
Acetic Acid SCHEMBL8860320 0.89 CA1 (0.57)
Acetic Acid SCHEMBL11138131 0.89
Succinic Acid SCHEMBL1539730 0.85 CA1 (0.50)
Acetic Acid SCHEMBL7631781 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041227-A2 PROCESSES FOR REMOVING COLOR DURING PRODUCTION OF RUNWAY DEICER BIOAMBER, S.A.S. (FR) 2011-04-07 WO disclosed
EP-1120425-B1 PROCESS FOR ELIMINATING N-TERMINAL METHIONINE TAKEDA PHARMACEUTICAL (JP) 2009-08-26 EP disclosed
US-6774221-B1 BY REACTING A DIKETONE WITH OXIDIZED N- TERMINAL METHIONINE RESIDUE WITH 3,4-DIAMINOBENZOIC ACID IN THE PRESENCE OF ACETIC ACID AND SODIUM FORMATE, FORMIC ACID AND SODIUM FORMATE, OR FORMIC ACID AND SODIUM ACETATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-08-10 US disclosed
CN-1322211-A Process for eliminating N-terminal methionine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-14 CN disclosed
EP-1138772-A1 PROCESS FOR PRODUCING APELIN Takeda Chemical Industries, Ltd. (JP) 2001-10-04 EP disclosed
EP-1120425-A1 PROCESS FOR ELIMINATING N-TERMINAL METHIONINE Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed