Acetic Acid

Acetic Acid

SCHEMBL23930215

CC(=O)[O-].CCCC.[Li+]

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 SCHEMBL5503587 0.92 CA1 (0.61)
Acetic Acid SCHEMBL28460096 0.92 CA1 (0.61)
Acetic Acid SCHEMBL7960655 0.92
Acetic Acid SCHEMBL5265226 0.92 CA1 (0.61)
Acetic Acid SCHEMBL28885983 0.85 CA1 (0.61)
Acetic Acid SCHEMBL8414035 0.85
Acetic Acid SCHEMBL19714905 0.83 CA1 (0.89)
Acetic Acid SCHEMBL28462563 0.83 CA1 (0.89)
Acetic Acid SCHEMBL40583 0.83
Acetic Acid SCHEMBL5487826 0.83 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
EP-4138556-A1 LIQUID SULFONYLUREA HERBICIDE COMPOSITION Battelle UK Limited (GB) 2023-03-01 EP disclosed
WO-2021214316-A1 LIQUID SULFONYLUREA HERBICIDE COMPOSITION BATTELLE UK LIMITED (GB) 2021-10-28 WO disclosed