Acetic Acid

Acetic Acid

SCHEMBL2773645

CC(=O)[O-].I.[Tl+]

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 SCHEMBL20096 0.95
Acetic Acid SCHEMBL3409355 0.90
Acetic Acid SCHEMBL8345692 0.90
Acetic Acid SCHEMBL10798084 0.90 CA1 (0.80)
Acetic Acid SCHEMBL10798094 0.90
Acetic Acid SCHEMBL10479513 0.90 CA1 (0.80)
Acetic Acid SCHEMBL28868516 0.90
Acetic Acid SCHEMBL11580548 0.90
Acetic Acid SCHEMBL359080 0.90 CA1 (0.80)
Acetic Acid SCHEMBL54008 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643989-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
EP-1458380-B1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-7132421-B2 CIS-imidazoles HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1643989-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
CN-1604778-A Cis-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
WO-2005002575-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20040259867-A1 CIS-imidazoles FOTOUHI NADER (US) 2004-12-23 US disclosed
US-20040204410-A1 CIS-imidazolines KONG NORMAN (US) 2004-10-14 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
EP-1458380-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-6734302-B2 SUCH AS 1-(4,5-BIS-(4-CHLORO-PHENYL)-2-(2,4-DIMETHOXY-PHENYL)-4,5-DIHYDRO-IMIDAZOL-1-YL)-2-METHYL-PROPAN-1-ONE WHICH INHIBITS THE INTERACTION OF MDM2 PROTEIN WITH P53-LIKE PEPTIDE; ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
US-20030153580-A1 Such as 1-(4,5-Bis-(4-chloro-phenyl)-2-(2,4-dimethoxy-phenyl)-4,5-dihydro-imidazol-1-yl)-2-methyl-propan-1-one which inhibits the interaction of MDM2 protein with p53-like peptide; antiproliferative agents KONG NORMAN (US) 2003-08-14 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed
WO-2003051359-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed