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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28903846 | 0.92 | — | — | |
| SCHEMBL9042 | 0.83 | — | — | |
| Diallyl Sulfide SCHEMBL23070593 | 0.81 | ALOX5 (0.61) | — | |
| Hydrogen Sulfide SCHEMBL5265823 | 0.80 | TRPA1 (0.47) | — | |
| Hydrogen Sulfide SCHEMBL5265826 | 0.80 | — | — | |
| SCHEMBL19611131 | 0.77 | — | — | |
| Acetic Acid SCHEMBL9217270 | 0.75 | — | — | |
| Diallyldisulfide SCHEMBL22291683 | 0.75 | TRPA1 (0.69) | — | |
| Acetic Acid SCHEMBL10534548 | 0.72 | ALOX5 (0.42) | — | |
| Acetic Acid SCHEMBL9815980 | 0.71 | — | — |
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-20210276023-A1 | ALKYL THIOETHER ETHYL HYDROXAMIC ACID BENEFICIATION REAGENT AND PREPARATION METHOD AND APPLICATION THEREOF | CENTRAL SOUTH UNIVERSITY (CN) | 2021-09-09 | — | — | US | claimed |
| US-20210276023-A1 | ALKYL THIOETHER ETHYL HYDROXAMIC ACID BENEFICIATION REAGENT AND PREPARATION METHOD AND APPLICATION THEREOF | CENTRAL SOUTH UNIVERSITY (CN) | 2021-09-09 | — | — | US | disclosed |
| CN-110563621-B | Method for utilizing byproduct sodium 2-mercaptoacetate in thiourethane production process | 中南大学 | 2021-01-22 | — | — | CN | disclosed |
| CN-110563621-A | Method for utilizing byproduct sodium 2-mercaptoacetate in thiourethane production process | 中南大学 | 2019-12-13 | — | — | CN | disclosed |