Acetic Acid

Acetic Acid

SCHEMBL9302894

CC(=O)[O-].O=C([O-])O.[Mg+2]

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 SCHEMBL4909079 0.96 CA1 (0.67)
Acetic Acid SCHEMBL8852919 0.95 CA1 (0.80)
Acetic Acid SCHEMBL30956907 0.91 CA1 (0.73)
Acetic Acid SCHEMBL4606651 0.91 CA1 (0.82)
Acetic Acid SCHEMBL16735519 0.91 CA1 (0.73)
Acetic Acid SCHEMBL9340215 0.91 CA1 (0.73)
Acetic Acid SCHEMBL21753950 0.91
Acetic Acid SCHEMBL10355787 0.91 CA1 (0.73)
Acetic Acid SCHEMBL27205411 0.91
Acetic Acid SCHEMBL4818925 0.91 CA1 (0.89)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5275943-A Timed-release tablets for biological degradation of organic matter CELLINITE TECHNOLOGIES, INC. 1994-01-04 US claimed
CN-109906221-A N- alkyl sulphonyl sulfonylindoline compounds and salt, garderning pesticide and its application method containing the compound 日本农药株式会社 2019-06-18 CN disclosed