Acetic Acid

Acetic Acid

SCHEMBL5508334

CC(=O)[O-].[Cu+].[I-].[Na+]

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 SCHEMBL28256174 0.95
Acetic Acid SCHEMBL27479727 0.95 CA1 (0.90)
Acetic Acid SCHEMBL9341460 0.95
Acetic Acid SCHEMBL28179636 0.91 CA1 (0.82)
Acetic Acid SCHEMBL27973702 0.91
Acetic Acid SCHEMBL31075986 0.91
Acetic Acid SCHEMBL1629111 0.91 CA1 (0.89)
Acetic Acid SCHEMBL152373 0.91
Acetic Acid SCHEMBL1332530 0.91
Acetic Acid SCHEMBL1964006 0.91 CA1 (1.00)

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-1791441-A1 MINERAL FEED SUPPLEMENT CAN TECHNOLOGIES, INC. (US) 2007-06-06 EP disclosed
WO-2006034098-A1 MINERAL FEED SUPPLEMENT CAN TECHNOLOGIES, INC. (US) 2006-03-30 WO disclosed