Acetic Acid

Acetic Acid

SCHEMBL2423948

CC(=O)O.CNC(N)=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
Bicarbonate SCHEMBL27653273 0.89
SCHEMBL10181 0.89
SCHEMBL9157890 0.89 LMNA (0.50)
Oxalic Acid SCHEMBL9685885 0.86 LDHA (0.44)
Benzene SCHEMBL27283473 0.86 ALDH1A1 (0.42)
Oxalic Acid SCHEMBL9685888 0.86 LDHA (0.44)
SCHEMBL11876964 0.85
Ammonia Solution, Strong SCHEMBL8332852 0.85
Hydrochloric Acid SCHEMBL180387 0.85
SCHEMBL14861005 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368004-A Cell compositions and uses thereof 悉尼大学 2021-02-12 CN disclosed
CN-110177466-A Method for removing spores 3M创新有限公司 2019-08-27 CN disclosed
CN-110167515-A The method for removing spore 3M创新有限公司 2019-08-23 CN disclosed
CN-110072562-A process monitoring device 3M创新有限公司 2019-07-30 CN disclosed
CN-109232441-A preparation method of 4-amino-2, 6-dimethoxypyrimidine 南京工业大学 2019-01-18 CN disclosed
CN-104822692-B Guanidine functional particles and preparation and application 3M创新有限公司 2018-05-22 CN disclosed
CN-105308021-B It is used to prepare the method for guanidine radicals functionalized monomer 3M创新有限公司 2018-05-04 CN disclosed
CN-105899720-B Laminate filtered with low pressure drop and preparation method thereof and application method are removed for microorganism 3M创新有限公司 2017-12-08 CN disclosed
CN-107429029-A Removable film-forming gel compositions and methods of applying the same 3M创新有限公司 2017-12-01 CN disclosed
CN-105579396-B Guanidine-functionalized metal silicate particles and methods of making and using such particles 3M创新有限公司 2017-10-27 CN disclosed
EP-3010883-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M Innovative Properties Company (US) 2016-04-27 EP disclosed
WO-2014204763-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-24 WO disclosed
EP-2542889-A1 LIGAND GUANIDINYL FUNCTIONALIZED POLYMERS 3M Innovative Properties Company (US) 2013-01-09 EP disclosed
WO-2011109151-A1 LIGAND GUANIDINYL FUNCTIONALIZED POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-09 WO disclosed
US-4346233-A Process for the preparation of ureas AKZONA INCORPORATED (US) 1982-08-24 US disclosed