Acetic Acid

Acetic Acid

SCHEMBL5093045

CC(=O)O.CC(C)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 SCHEMBL451569 0.96
Acetic Acid SCHEMBL9751842 0.92 FFAR3 (0.54)
Acetic Acid SCHEMBL1591297 0.91 FFAR3 (0.64)
Acetic Acid SCHEMBL694363 0.91
Acetic Acid SCHEMBL28301301 0.91 FFAR3 (0.64)
Acetic Acid SCHEMBL10928523 0.89
Acetic Acid SCHEMBL10415847 0.89 FFAR3 (0.50)
Acetic Acid SCHEMBL11765747 0.89 LMNA (0.50)
Acetic Acid SCHEMBL5555814 0.87 FFAR3 (0.58)
Acetic Acid SCHEMBL8187512 0.87 FFAR3 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024026-A2 USE OF 9-OXOACRIDINE-10-ACETIC ACID, ITS SALTS AND ESTERS FOR THE TREATMENT, PROPHYLAXIS OR RELAPSE PREVENTION OF PROSTATE CANCER SURKOV KIRILL GENNADIEVICH (RU) 2008-02-28 WO disclosed