Acetic Acid

Acetic Acid

SCHEMBL19714904

CC(=O)O.[LiH].[LiH].[LiH].[LiH]

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 SCHEMBL28036819 1.00
Acetic Acid SCHEMBL28462565 1.00 FFAR3 (0.88)
Acetic Acid SCHEMBL28610862 1.00 FFAR3 (0.88)
Acetic Acid SCHEMBL10610500 1.00
Acetic Acid SCHEMBL40584 1.00
Acetic Acid SCHEMBL9450726 0.94
Acetic Acid SCHEMBL28939610 0.94
Acetic Acid SCHEMBL10694918 0.94
Acetic Acid SCHEMBL11435234 0.94
Acetic Acid SCHEMBL19809840 0.94 FFAR3 (0.78)

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
US-10008749-B2 Lithium ion battery GM Global Technology Operations LLC (US) 2018-06-26 US claimed
US-20170365883-A1 LITHIUM ION BATTERY BAR ILAN UNIVERSITY (IL) 2017-12-21 US claimed