Acetic Acid

Acetic Acid

SCHEMBL27484202

CC(=O)O.[Li]Cl

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 SCHEMBL3961679 0.90
Acetic Acid SCHEMBL15878496 0.84
Acetic Acid SCHEMBL17822218 0.84
Acetic Acid SCHEMBL7359120 0.84
Acetic Acid SCHEMBL10553195 0.84
Acetic Acid SCHEMBL312459 0.84
Acetic Acid SCHEMBL29039833 0.84 FFAR3 (0.78)
Acetic Acid SCHEMBL7472549 0.84
Acetic Acid SCHEMBL1331719 0.84
Acetic Acid SCHEMBL1674512 0.84 FFAR3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124216-A Heterocyclic MCHr1 antagonists and their use in therapy ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
CN-1202761-C Cigarette filter tip DANDONG CT OF BIOLOG PRODUCTS (CN) 2005-05-25 CN disclosed
CN-1418065-A Cigarette filter tip DANDONG CANTRE OF BIOLOG PRODU (CN) 2003-05-14 CN disclosed
CN-1314116-A Cigarette filter tip DANDONG CITY BIOLOG PRODUCTS A (CN) 2001-09-26 CN disclosed