Acetic Acid

Acetic Acid

SCHEMBL4032886

CC(=O)O.NCCS

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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 SCHEMBL21826809 0.97
Cysteamine SCHEMBL6377246 0.87
Cysteamine SCHEMBL5502656 0.86
Cysteamine SCHEMBL1010057 0.86 TSHR (0.61)
Methacrylic Acid SCHEMBL28444209 0.83 TSHR (0.42)
Carbamic Acid SCHEMBL27915357 0.83
Acetic Acid SCHEMBL743878 0.82 FFAR3 (0.58)
Acetic Acid SCHEMBL220259 0.82 FFAR3 (0.58)
Acetic Acid SCHEMBL20617 0.82 FFAR3 (0.58)
Acetic Acid SCHEMBL3420431 0.82 FFAR3 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006785-A Materials and methods for improving shrimp health WALCOM ANIMAL SCIENCE I P 3 LT 2011-04-06 CN disclosed
WO-2009100950-A1 MATERIALS AND METHODS FOR IMPROVING THE HEALTH OF SHRIMP WALCOM ANIMAL SCIENCE (I.P.3) LIMITED (CN) 2009-08-20 WO disclosed
US-20090209650-A1 Materials and Methods for Improving the health of Shrimp WALCOM ANIMAL SCIENCE (I.P.3) LIMITED (HK) 2009-08-20 US disclosed
EP-1713508-A2 USE OF AMINO-OXY FUNCTIONAL GROUPS IN THE PREPARATION OF VACCINE CONJUGATES Biosynexus Incorporated (US) 2006-10-25 EP disclosed
WO-2005072778-A2 USE OF AMINO-OXY FUNCTIONAL GROUPS IN THE PREPARATION OF VACCINES CONJUGATES BIOSYNEXUS, INC. (US) 2005-08-11 WO disclosed
US-20050169941-A1 Use of amino-oxy functional groups in the preparation of protein-polysaccharide conjugate vaccines FINA BIOSOLUTIONS, LLC 2005-08-04 US disclosed
US-6355771-B1 MODIFIED BY MERCAPTOALKYLAMINE; CORROSION RESISTANCE, ANTISCALING AGENTS NIPPON SHOKUBAI CO., LTD. (JP) 2002-03-12 US disclosed
EP-0980883-A1 Modified polyaspartic acid, method for production thereof and use therefor Nippon Shokubai Co., Ltd. (JP) 2000-02-23 EP disclosed
US-5439675-A Aqueous solution of cysteamine and additional reducing agent; minimizes damage to hair HELENE CURTIS, INC. (US) 1995-08-08 US disclosed
US-5362487-A Cysteamine permanent wave composition and method HELENE CURTIS, INC. (US) 1994-11-08 US disclosed
US-5314817-A Hapten modified with pyrimidine dimer or benzylammonium group, useful in reactions of proteins, nucleic acids and carbohydrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-05-24 US disclosed
US-5302516-A Polypeptides having a binding site specific for a reactant and having an active functionality near that site to promote or catalyze the reaction; kinetics REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-04-12 US disclosed
US-5215889-A CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-01 US disclosed
EP-0445214-A4 CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE 1991-11-13 EP disclosed
EP-0445214-A1 CATALYTIC AND REACTIVE ANTIBODIES AND ANTIBODY FRAGMENTS AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-11 EP disclosed
WO-1990005746-A1 CATALYTIC AND REACTIVE POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed
EP-0169581-B1 ANTITUSSIVE AND MUCUS REGULATING 2-SUBSTITUTED THIAZOLIDINES BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-12-06 EP disclosed
US-4857643-A Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-08-15 US disclosed
US-4798898-A BRONCHODILATORS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-01-17 US disclosed
EP-0169581-A2 Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-01-29 EP disclosed