Acetic Acid

Acetic Acid

SCHEMBL28939610

CC(=O)O.F.F.F.[LiH]

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 SCHEMBL28736229 0.95
Acetic Acid SCHEMBL40584 0.94
Acetic Acid SCHEMBL28462565 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL28036819 0.94
Acetic Acid SCHEMBL19714904 0.94
Acetic Acid SCHEMBL28610862 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL10610500 0.94
Acetic Acid SCHEMBL3012542 0.94
Acetic Acid SCHEMBL4823161 0.94
Acetic Acid SCHEMBL2224826 0.94

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
CN-114551819-A LATP/high-nickel composite positive electrode material, positive plate and battery 万向一二三股份公司 2022-05-27 CN claimed
CN-114551819-A LATP/high-nickel composite positive electrode material, positive plate and battery 万向一二三股份公司 2022-05-27 CN disclosed