Acetic Acid

Acetic Acid

SCHEMBL19209974

CC(=O)O.CCN.N

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 SCHEMBL4909754 1.00 FFAR3 (0.54)
Acetic Acid SCHEMBL10944981 1.00 FFAR3 (0.54)
Acetic Acid SCHEMBL3389581 1.00 FFAR3 (0.54)
Acetic Acid SCHEMBL30992289 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL7880095 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL8676850 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL1025735 0.96
Acetic Acid SCHEMBL10766537 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL9350314 0.96 FFAR3 (0.58)
Acetic Acid SCHEMBL8064727 0.92

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205691-B1 VINYL-BASED THERMOPLASTIC RESIN COMPOSITION, PREPARATION METHOD THEREFOR, AND VINYL-BASED THERMOPLASTIC RESIN PREPARED THEREFROM LG CHEMICAL LTD (KR) 2021-05-26 EP disclosed
US-20170260308-A1 VINYL-BASED THERMOPLASTIC RESIN COMPOSITION, METHOD FOR MANUFACTURING THEREOF AND VINYL-BASED THERMOPLASTIC RESIN MANUFACTURED THEREFROM (AS AMENDED) LG CHEM, LTD. (KR) 2017-09-14 US disclosed
EP-3205691-A1 VINYL-BASED THERMOPLASTIC RESIN COMPOSITION, PREPARATION METHOD THEREFOR, AND VINYL-BASED THERMOPLASTIC RESIN PREPARED THEREFROM LG Chem, Ltd. (KR) 2017-08-16 EP disclosed