Acetic Acid

Acetic Acid

SCHEMBL8206910

CC#N.CC(=O)[O-].O.[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 SCHEMBL2186272 1.00 CA1 (0.64)
Acetic Acid SCHEMBL3173468 1.00
Acetic Acid SCHEMBL27972026 0.97 CA1 (0.60)
Acetic Acid SCHEMBL10534378 0.97 CA1 (0.60)
Acetic Acid SCHEMBL28015778 0.94 CA1 (0.56)
Acetic Acid SCHEMBL29046887 0.93 CA1 (0.57)
Acetic Acid SCHEMBL28420347 0.93 CA1 (0.57)
Acetic Acid SCHEMBL27897081 0.93 CA1 (0.57)
Acetic Acid SCHEMBL17747086 0.93 CA1 (0.57)
Acetic Acid SCHEMBL28318641 0.93 CA1 (0.57)

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
EP-0708627-B1 METHOD AND DEVICE FOR PROVIDING NICOTINE REPLACEMENT THERAPY TRANSDERMALLY/TRANSBUCCALLY CYGNUS THERAPEUTIC SYSTEMS (US) 2000-02-02 EP disclosed
EP-0708627-A4 METHOD AND DEVICE FOR PROVIDING NICOTINE REPLACEMENT THERAPY TRANSDERMALLY/TRANSBUCCALLY CYGNUS THERAPEUTIC SYSTEMS (US) 1997-04-23 EP disclosed
EP-0708627-A1 METHOD AND DEVICE FOR PROVIDING NICOTINE REPLACEMENT THERAPY TRANSDERMALLY/TRANSBUCCALLY CYGNUS, INC. (US) 1996-05-01 EP disclosed
WO-1995001766-A1 METHOD AND DEVICE FOR PROVIDING NICOTINE REPLACEMENT THERAPY TRANSDERMALLY/TRANSBUCCALLY CYGNUS THERAPEUTIC SYSTEMS (US) 1995-01-19 WO disclosed