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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Dioxane SCHEMBL13835213 | 0.96 | SMN1; SMN2 (0.50) | — | |
| Acetic Acid SCHEMBL19973141 | 0.96 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL1674890 | 0.96 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL4305539 | 0.96 | — | — | |
| Acetic Acid SCHEMBL8865239 | 0.92 | FFAR3 (0.54) | — | |
| Dioxane SCHEMBL575055 | 0.92 | FFAR3 (0.54) | — | |
| Dioxane SCHEMBL29086945 | 0.92 | FFAR3 (0.54) | — | |
| Dioxane SCHEMBL29064211 | 0.89 | SMN1; SMN2 (0.50) | — | |
| Dioxane SCHEMBL8100844 | 0.89 | SMN1; SMN2 (0.50) | — | |
| Acetic Acid SCHEMBL1704981 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169193-B2 | Use of sugar surfactants and fatty acid partial glycerides | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2007-01-30 | — | — | US | disclosed |
| US-20050198747-A1 | Use of cationic starch derivatives for dye retention | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2005-09-15 | — | — | US | disclosed |
| US-6858216-B2 | Cosmetic agent containing 2-furanone derivatives | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2005-02-22 | — | — | US | disclosed |
| US-6730290-B2 | MIXTURE CONTAINING WAX, EMULSIFIERS AND PROPELLANTS | HANS SCHWARZKOPF GMBH & CO. KG (DE) | 2004-05-04 | — | — | US | disclosed |