Acetic Acid

Acetic Acid

SCHEMBL8939345

CC(=O)O.N[C@@H]1CCCC[C@]1(N)[Pt].O=[N+]([O-])O

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
Propionic Acid SCHEMBL8939283 0.90
Nitric Acid SCHEMBL8939273 0.88 GRM2 (0.33)
Chloroacetic Acid SCHEMBL8939293 0.87
Oxalic Acid SCHEMBL3264634 0.81
SCHEMBL8939278 0.79
SCHEMBL4018597 0.77
SCHEMBL5870436 0.77
SCHEMBL3500923 0.77
Glycolic Acid SCHEMBL10953166 0.77 USP2 (0.32)
Sulfuric Acid SCHEMBL11494938 0.74

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
US-5585511-A ANTITUMOR AGENTS, SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed