Acetic Acid

Acetic Acid

SCHEMBL3640972

CC(=O)[O-].CC(=O)[O-].CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C

nearest known ligand 0.40

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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.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPO P22079 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL1223456 1.00 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
Bicarbonate SCHEMBL28771600 0.93 LMNA (0.41) ACHELMNAHPGDHTTSMN1; SMN2
Succinic Acid SCHEMBL1305654 0.90 ACHE (0.38) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL486840 0.88 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
L-Lactic Acid SCHEMBL1331542 0.87 ACHE (0.42) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL28394690 0.87 ACHE (0.47) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL294564 0.87
Acetic Acid SCHEMBL28811877 0.86 CA1 (0.38) ACHELMNAHPGDHTTSMN1; SMN2
Iodide SCHEMBL2037554 0.85 ACHE (0.46) ACHELMNAHPGDHTTSMN1; SMN2
Hydrogen Sulfide SCHEMBL16760610 0.85 ACHE (0.46) ACHELMNAHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458502-B1 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-18 EP claimed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US claimed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP claimed
EP-2158248-B1 CATALYST FOR CURING EPOXIDES BASF SE (DE) 2012-08-15 EP disclosed
CN-101754993-A catalyst for curing epoxides BASF SE 2010-06-23 CN disclosed
EP-2158248-A1 CATALYST FOR CURING EPOXIDES Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152003-A1 CATALYST FOR CURING EPOXIDES BASF SE (DE) 2008-12-18 WO disclosed
EP-0458502-B1 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-18 EP disclosed
EP-0328020-B1 Use of a catalyst in epoxy compositions DOW CHEMICAL CO (US) 1996-10-09 EP disclosed
US-5407977-A Anhydrous mixtures containing protic organic solvents and methoxy acetone with curing agents, catalysts and/or inhibitors for epoxy and polyepoxy resins THE DOW CHEMICAL COMPANY (US) 1995-04-18 US disclosed
EP-0639599-A1 Solvent system and epoxy resin composition THE DOW CHEMICAL COMPANY (US) 1995-02-22 EP disclosed
US-5342865-A Solvent system THE DOW CHEMICAL COMPANY (US) 1994-08-30 US disclosed
EP-0567248-A1 Solvent system THE DOW CHEMICAL COMPANY (US) 1993-10-27 EP disclosed
EP-0553887-A2 Catalysts and epoxy resin composition containing the same THE DOW CHEMICAL COMPANY (US) 1993-08-04 EP disclosed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US disclosed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP disclosed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed