Acetic Acid

Acetic Acid

SCHEMBL3764558

CC(=O)O.[2H]O[2H]

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 SCHEMBL28088830 0.91
Acetic Acid SCHEMBL29264072 0.91
Acetic Acid SCHEMBL7572365 0.86 FFAR3 (0.70)
Acetic Acid SCHEMBL4124082 0.85
Acetic Acid SCHEMBL5573359 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL2282261 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL11857925 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL9267268 0.85 FFAR3 (0.88)
Acetic Acid SCHEMBL51762 0.85
Acetic Acid SCHEMBL226015 0.85

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
US-20100311844-A1 Spontaneously Forming Ellipsoidal Phospholipid Unilamellar Vesicles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-09 US disclosed
EP-2081552-A2 SPONTANEOUSLY FORMING ELLIPSOIDAL PHOSPHOLIPID UNILAMELLAR VESICLES Children's Hospital Medical Center (US) 2009-07-29 EP disclosed
WO-2008051818-A2 SPONTANEOUSLY FORMING ELLIPSOIDAL PHOSPHOLIPID UNILAMELLAR VESICLES CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2008-05-02 WO disclosed