Acetic Acid

Acetic Acid

SCHEMBL440498

CC(=O)O.CS(=O)(=O)O

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 SCHEMBL6288674 1.00 FFAR3 (0.58)
Sulfuric Acid SCHEMBL6727153 0.96 FFAR3 (0.54)
Acetic Acid SCHEMBL8375833 0.96 FFAR3 (0.54)
Acetone SCHEMBL2586373 0.87
Sulfuric Acid SCHEMBL7640374 0.87 FFAR3 (0.64)
Sulfuric Acid SCHEMBL164130 0.87 FFAR3 (0.64)
Sulfuric Acid SCHEMBL282882 0.87
Bicarbonate SCHEMBL7692947 0.87
Sulfuric Acid SCHEMBL10378486 0.87 FFAR3 (0.64)
Sulfuric Acid SCHEMBL28072247 0.87 FFAR3 (0.64)

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 454 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026764-A Temperature/pH dual-response type biochar-based phosphate fertilizer and preparation method and application thereof 中国热带农业科学院南亚热带作物研究所 2024-05-14 CN claimed
CN-110862346-A Levatinib mesylate acetic acid compound crystal form, preparation method and application thereof 上海博志研新药物技术有限公司 2020-03-06 CN claimed
EP-2305624-B1 Self-degradable explosive device MAXAMCORP HOLDING SL (ES) 2017-09-27 EP claimed
US-20160311701-A1 Method and System for Treating Produced Water DE NORA WATER TECHNOLOGIES, INC. 2016-10-27 US claimed
US-8585841-B2 Systems and methods for chemical and/or mechanical remediation of nitro compounds and nitrate esters MAXAMCORP HOLDING S.L. (ES) 2013-11-19 US claimed
US-8529955-B2 Methods of treatment using a gastric retained gabapentin dosage DEPOMED, INC. (US) 2013-09-10 US claimed
US-8440232-B2 Methods of treatment using a gastric retained gabapentin dosage DEPOMED, INC. (US) 2013-05-14 US claimed
EP-2445852-A1 SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS Maxamcorp Holding, S.L. (ES) 2012-05-02 EP claimed
US-20120064168-A1 METHODS OF TREATMENT USING A GASTRIC RETAINED GABEPENTIN DOSAGE DEPOMED, INC. (US) 2012-03-15 US claimed
US-8119166-B2 Methods of treatment using a gastric retained gabapentin dosage DEPOMED, INC. (US) 2012-02-21 US claimed
US-6706283-B1 INCREASING BIOAVAILABILITY OF SPARINGLY WATER SOLUBLE ACTIVE INGREDIENTS; CONTROLLED INFLUX OF WATER TO CORE USING NON-DISSOLVING, NONERODING COATING PFIZER INC 2004-03-16 US claimed
EP-0694035-B1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-07-17 EP claimed
EP-0946580-B1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD OF PREPARATION AND APPLICATION AS MEDICINES AVENTIS PHARMA SA (FR) 2002-04-03 EP claimed
US-6365185-B1 ORAL TABLET FOR DELIVERING BENEFICIAL AGENT TO MAMMAL COMPRISING CORE COMPARTMENT HAVING BENEFICIAL AGENT SURROUNDED BY UNITARY SELF-DESTRUCTING SHELL COMPRISING PLURALITY OF DISINTEGRANT PARTICLES DISPERSED WITHIN SEMIPERMEABLE MATRIX UNIVERSITY OF CINCINNATI 2002-04-02 US claimed
EP-1027888-A2 Osmotic system for delivery of solid amorphous dispersions of drugs Pfizer Products Inc. (US) 2000-08-16 EP claimed
US-5612059-A CELLULOSE DERIVATIVE, DRUG DELIVERY PFIZER INC. (US) 1997-03-18 US claimed
EP-0694035-A1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA &amp; UPJOHN S.p.A. (IT) 1996-01-31 EP claimed
WO-1995022549-A1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA S.P.A. (IT) 1995-08-24 WO claimed
EP-0326727-A1 Sustained release implant and method for preparing same INTERNATIONAL MINERALS AND CHEMICAL CORPORATION (US) 1989-08-09 EP claimed
US-4761289-A Sustained release implant and method for preparing same INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1988-08-02 US claimed