Acetic Acid

Acetic Acid

SCHEMBL28940968

CC(=O)[O-].O.O.[Cs+]

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 SCHEMBL21752845 1.00
Acetic Acid SCHEMBL73216 0.95
Acetic Acid SCHEMBL27584009 0.95 CA1 (0.89)
Acetic Acid SCHEMBL21752948 0.90 CA1 (0.80)
Acetic Acid SCHEMBL25215531 0.90 CA1 (0.80)
Acetic Acid SCHEMBL23116337 0.90 CA1 (0.80)
Acetic Acid SCHEMBL25312642 0.90 CA1 (0.80)
Acetic Acid SCHEMBL20720790 0.90 CA1 (0.80)
Acetic Acid SCHEMBL21752953 0.90 CA1 (0.80)
Acetic Acid SCHEMBL25334487 0.90 CA1 (0.80)

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-115633533-A Method for preparing inorganic perovskite film 中南大学 2023-01-20 CN claimed
CN-115633533-A Method for preparing inorganic perovskite film 中南大学 2023-01-20 CN disclosed