Acetic Acid

Acetic Acid

SCHEMBL27799892

CC(=O)O.CC(N)=O.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 SCHEMBL1715034 0.95
Acetic Acid SCHEMBL27827411 0.95 LMNA (0.80)
Acetic Acid SCHEMBL28385300 0.95 LMNA (0.80)
Acetic Acid SCHEMBL16196241 0.91 LMNA (0.73)
Acetic Acid SCHEMBL18979653 0.91 LMNA (0.73)
Acetic Acid SCHEMBL27645349 0.91
Acetic Acid SCHEMBL7766504 0.91 LMNA (0.73)
Acetic Acid SCHEMBL18979632 0.91 LMNA (0.73)
Acetic Acid SCHEMBL27827814 0.91
Acetamide SCHEMBL1666606 0.91

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
CN-101899089-A Saturated fatty chain amine His-Gly-AA tripeptide amide, synthetic method and application thereof UNIV CAPITAL MEDICAL 2010-12-01 CN disclosed