Acetic Acid

Acetic Acid

SCHEMBL4907267

CC(=O)CN.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
SCHEMBL38702 0.92
Acetic Acid SCHEMBL1140278 0.88
Hydrochloric Acid SCHEMBL1027951 0.88
Water SCHEMBL4748367 0.88
Hydrochloric Acid SCHEMBL4948046 0.88 ALDH1A1 (0.47)
Iodide SCHEMBL23540725 0.88
Bromide SCHEMBL9286855 0.88
Acetone SCHEMBL8491952 0.88 LMNA (0.50)
Water SCHEMBL10942482 0.88 ALDH1A1 (0.47)
SCHEMBL28059549 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597789-B2 Materials for hydrophilic interaction chromatography and processes for preparation and use thereof for analysis of glycoproteins and glycopeptides WATERS TECHNOLOGIES CORPORATION (US) 2023-03-07 US disclosed
US-20220034852-A1 MATERIALS FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY AND PROCESSES FOR PREPARATION AND USE THEREOF FOR ANALYSIS OF GLYCOPROTEINS AND GLYCOPEPTIDES WATERS TECHNOLOGIES CORPORATION 2022-02-03 US disclosed
US-11092574-B2 Materials for hydrophilic interaction chromatography and processes for preparation and use thereof for analysis of glycoproteins and glycopeptides WATERS TECHNOLOGIES CORPORATION (US) 2021-08-17 US disclosed
US-20190056360-A1 MATERIALS FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY AND PROCESSES FOR PREPARATION AND USE THEREOF FOR ANALYSIS OF GLYCOPROTEINS AND GLYCOPEPTIDES WATERS TECHNOLOGIES CORPORATION 2019-02-21 US disclosed
US-10119944-B2 Materials for hydrophilic interaction chromatography and processes for preparation and use thereof for analysis of glycoproteins and glycopeptides WATERS TECHNOLOGIES CORPORATION (US) 2018-11-06 US disclosed
US-20150316515-A1 MATERIALS FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY AND PROCESSES FOR PREPARATION AND USE THEREOF FOR ANALYSIS OF GLYCOPROTEINS AND GLYCOPEPTIDES WATERS TECHNOLOGIES CORPORATION 2015-11-05 US disclosed
US-20150204824-A1 MATERIALS FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY AND PROCESSES FOR PREPARATION AND USE THEREOF FOR ANALYSIS OF GLYCOPROTEINS AND GLYCOPEPTIDES WATERS TECHNOLOGIES CORPORATION 2015-07-23 US disclosed
US-20080193378-A1 Radio Metal Complexes Based on Bispidine and the Derivatives Thereof as Chelating Agents, and Use Thereof for Nuclear Medical Diagnosis and Therapy COMBA PETER 2008-08-14 US disclosed