Acetic Acid

Acetic Acid

SCHEMBL28488405

C.CC(=O)O.[Fe]

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 SCHEMBL28097492 0.94
Acetic Acid SCHEMBL27088463 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL9559027 0.94
Acetic Acid SCHEMBL29070664 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL8216357 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL51267 0.94
Acetic Acid SCHEMBL8938957 0.94
Acetic Acid SCHEMBL3101179 0.94 FFAR3 (0.88)
Acetic Acid SCHEMBL866791 0.94
Acetic Acid SCHEMBL27647072 0.94 FFAR3 (0.88)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111900423-A Flexible air electrode, flexible metal-air battery and wearable electronic equipment 华南理工大学 2020-11-06 CN disclosed