Acetic Acid

Acetic Acid

SCHEMBL5801691

CC(=O)O.CCCCCCCCCCCCC1(C)CNCCO1

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
SCHEMBL10729437 0.92
SCHEMBL9858377 0.92
Bromide SCHEMBL10659720 0.90
Bromide SCHEMBL10725551 0.90
Hydrochloric Acid SCHEMBL8006896 0.90
Hydrochloric Acid SCHEMBL9784581 0.90
Hydrochloric Acid SCHEMBL10940390 0.90
Hydrochloric Acid SCHEMBL15572657 0.89 HSD17B10 (0.32)
Propionic Acid SCHEMBL28675728 0.88 HSD17B10 (0.34)
SCHEMBL3305452 0.85 HSD17B10 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337613-A4 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA LLC (US) 2004-05-12 EP claimed
US-20030166490-A1 Controlled delivery system for fabric care products SALVONA LLC 2003-09-04 US claimed
EP-1337613-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS Salvona L.L.C. (US) 2003-08-27 EP claimed
US-6531444-B1 Fragrant burst upon ironing; hydrophobic candelilla wax/silicon copolymer; cationic charge boosters and fabric softeners SALVONA, LLC 2003-03-11 US claimed
WO-2002038713-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA, L.L.C. (US) 2002-05-16 WO claimed
US-7119060-B2 Controlled delivery system for fabric care products SALVONA IP, LLC (US) 2006-10-10 US disclosed
WO-2006078563-A2 A CONTROLLED DELIVERY SYSTEM FOR HOUSEHOLD PRODUCTS NATIONAL STARCH AND CHEMICAL COMPANY (US) 2006-07-27 WO disclosed
US-20050176599-A1 Controlled delivery system for household products BERGQUIST CATHARINE J (US) 2005-08-11 US disclosed
EP-1337613-A4 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA LLC (US) 2004-05-12 EP disclosed
US-20030166490-A1 Controlled delivery system for fabric care products SALVONA LLC 2003-09-04 US disclosed
EP-1337613-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS Salvona L.L.C. (US) 2003-08-27 EP disclosed
US-6531444-B1 Fragrant burst upon ironing; hydrophobic candelilla wax/silicon copolymer; cationic charge boosters and fabric softeners SALVONA, LLC 2003-03-11 US disclosed
WO-2002038713-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA, L.L.C. (US) 2002-05-16 WO disclosed
US-4096072-A CASTOR OIL, QUATERNARY AMMONIUM SALTS, DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1978-06-20 US disclosed