Acetic Acid

Acetic Acid

SCHEMBL28167447

CC(=O)O.Cl.[KH].[MgH2]

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 SCHEMBL8151465 0.95
Acetic Acid SCHEMBL28161441 0.95
Acetic Acid SCHEMBL7056896 0.95
Acetic Acid SCHEMBL28167502 0.95
Acetic Acid SCHEMBL11883703 0.95
Acetic Acid SCHEMBL11046669 0.95 FFAR3 (0.78)
Acetic Acid SCHEMBL4739460 0.95 FFAR3 (0.78)
Acetic Acid SCHEMBL2048965 0.95
Acetic Acid SCHEMBL4006218 0.95
Acetic Acid SCHEMBL27241864 0.91 FFAR3 (0.58)

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-105950876-B A kind of method of ammonium molybdate solution magnesium chloride purification slag high-efficiency comprehensive utilization 信丰华锐钨钼新材料有限公司 2017-08-29 CN disclosed