Acetic Acid

Acetic Acid

SCHEMBL27768637

CC(=O)[O-].CN.[Na+]

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 SCHEMBL8330513 0.96
Acetic Acid SCHEMBL27842626 0.91
Acetic Acid SCHEMBL11454406 0.91 CA1 (0.73)
Acetic Acid SCHEMBL2343612 0.91 CA1 (1.00)
Acetic Acid SCHEMBL153505 0.91 CA1 (1.00)
Acetic Acid SCHEMBL10529780 0.91 CA1 (1.00)
Acetic Acid SCHEMBL1331799 0.91
Acetic Acid SCHEMBL1964006 0.91 CA1 (1.00)
Acetic Acid SCHEMBL2289 0.91
Acetic Acid SCHEMBL1332333 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102641216-A Tooth-strengthening and odontogeny-preventing element and preparation method thereof HUBEI CHUGUAN BIOLOG PHARMACY CO LTD 2012-08-22 CN claimed
CN-100506847-C IgY preparation method for preventing and treating oral diseases and toothpaste based on IgY YACHEN MEDICINE GROUP YUANDONG (HK) 2009-07-01 CN claimed
CN-113429480-A Broad-spectrum composite IgY for resisting coronavirus, influenza virus and oral pathogenic bacteria and preparation thereof 深圳市雅臣智能生物工程有限公司 2021-09-24 CN disclosed
CN-109745239-A A kind of formula and preparation method thereof for glue of removing ornaments and formal dress 前海玖诚国际实业(深圳)有限公司 2019-05-14 CN disclosed
CN-108451846-A A kind of children's bubble bath agent for contributing to treatment to catch a cold 江苏娘亲亲母婴健康管理有限公司 2018-08-28 CN disclosed
CN-108158965-A A kind of children bubble bath agent of function of spleen and stomach regulating 江苏娘亲亲母婴健康管理有限公司 2018-06-15 CN disclosed
CN-107998030-A A kind of skin-care makeup-removal oil formula and preparation method thereof 徐州昌南医疗科技有限公司 2018-05-08 CN disclosed
CN-107737083-A A kind of children's toothpaste and preparation method thereof 谭曜 2018-02-27 CN disclosed
CN-102641216-A Tooth-strengthening and odontogeny-preventing element and preparation method thereof HUBEI CHUGUAN BIOLOG PHARMACY CO LTD 2012-08-22 CN disclosed
CN-100506847-C IgY preparation method for preventing and treating oral diseases and toothpaste based on IgY YACHEN MEDICINE GROUP YUANDONG (HK) 2009-07-01 CN disclosed