Acetic Acid

Acetic Acid

SCHEMBL6469258

CC(=O)O.N.[Cl-].[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 SCHEMBL197558 0.95
Acetic Acid SCHEMBL285307 0.95
Acetic Acid SCHEMBL7645779 0.95 FFAR3 (0.78)
Acetic Acid SCHEMBL28234994 0.90
Acetic Acid SCHEMBL28265503 0.90
Acetic Acid SCHEMBL28203236 0.90
Acetic Acid SCHEMBL2848522 0.89 FFAR3 (0.88)
Acetic Acid SCHEMBL20537337 0.89 FFAR3 (0.88)
Acetic Acid SCHEMBL462200 0.89 FFAR3 (0.88)
Acetic Acid SCHEMBL21197465 0.89 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924109-B2 High-throughput transcriptome and functional validation analysis AGY THERAPEUTICS, INC. (US) 2005-08-02 US disclosed
US-20050053936-A1 High-throughput transcriptome and functional validation analysis AGY THERAPEUTICS, INC. 2005-03-10 US disclosed
US-6841351-B2 High-throughput transcriptome and functional validation analysis AGY THERAPEUTICS, INC. (US) 2005-01-11 US disclosed
EP-1444362-A2 HIGH-THROUGHPUT TRANSCRIPTOME AND FUNCTIONAL VALIDATION ANALYSIS Agy Therapeutics, Inc. (US) 2004-08-11 EP disclosed
US-20030082570-A1 High-throughput transcriptome and functional validation analysis AGY THERAPEUTICS, INC. 2003-05-01 US disclosed
WO-2003033673-A2 HIGH-THROUGHPUT TRANSCRIPTOME AND FUNCTIONAL VALIDATION ANALYSIS AGY THERAPEUTICS, INC. (US) 2003-04-24 WO disclosed
US-20030027168-A1 Generation of preferential nucleotide sequence; obtain complimentary nucleotide sequences, incubate with primers, amplify, recover nucleotide sequences AGY THERAPEUTICS, INC. (US) 2003-02-06 US disclosed