Acetic Acid

Acetic Acid

SCHEMBL7763629

CC(=O)O.NON

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 SCHEMBL9000557 1.00 FFAR3 (0.64)
Acetic Acid SCHEMBL7150792 0.95
Acetic Acid SCHEMBL9776628 0.87
Acetic Acid SCHEMBL23087125 0.86 FFAR3 (0.47)
Acetic Acid SCHEMBL28377612 0.86 FFAR3 (0.47)
Acetic Acid SCHEMBL27313216 0.84 FFAR3 (0.54)
Acetic Acid SCHEMBL5491931 0.84 FFAR3 (0.54)
Acetic Acid SCHEMBL27338557 0.84 FFAR3 (0.54)
Acetic Acid SCHEMBL180135 0.84
Acetic Acid SCHEMBL9276886 0.84 FFAR3 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563534-A Method for measuring glycated hemoglobin 协和梅迪克斯株式会社 2019-04-02 CN disclosed
EP-0847437-B1 ALKYL ETHER AMINE CONVEYOR LUBRICANT ECOLAB INC (US) 2001-07-11 EP disclosed
EP-0847436-B1 ALKYL ETHER AMINE CONVEYOR LUBRICANTS CONTAINING CORROSION INHIBITORS ECOLAB INC (US) 2001-05-09 EP disclosed
US-5863874-A FOR MECHANIZED CONVEYOR SYSTEMS THAT TRANSPORT BEVERAGES, FOODS; NON-PRECIPITATING IN HARD WATER, ANTIMICROBIAL AGENTS REDUCE SLIME FROM SPILLAGE ON CONVEYOR; COMPATIBLE WITH POLYETHYLENE TEREPHTHALATE CONTAINERS ECOLAB INC. (US) 1999-01-26 US disclosed
EP-0847436-A1 ALKYL ETHER AMINE CONVEYOR LUBRICANTS CONTAINING CORROSION INHIBITORS ECOLAB INC. (US) 1998-06-17 EP disclosed
EP-0847437-A1 ALKYL ETHER AMINE CONVEYOR LUBRICANT ECOLAB INC. (US) 1998-06-17 EP disclosed
US-5723418-A POLYCARBOXYLIC ACID CORROSION INHIBITOR ECOLAB INC. (US) 1998-03-03 US disclosed
WO-1997045509-A1 ALKYL ETHER AMINE CONVEYOR LUBRICANTS CONTAINING CORROSION INHIBITORS ECOLAB INC. (US) 1997-12-04 WO disclosed
WO-1997045508-A1 ALKYL ETHER AMINE CONVEYOR LUBRICANT ECOLAB INC. (US) 1997-12-04 WO disclosed