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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4305966 | 0.94 | — | — | |
| Acetic Acid SCHEMBL8586375 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL5576564 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL29768744 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL8585131 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL8427240 | 0.89 | — | — | |
| Acetic Acid SCHEMBL11288986 | 0.89 | — | — | |
| Acetic Acid SCHEMBL7869524 | 0.89 | — | — | |
| Acetic Acid SCHEMBL10442572 | 0.89 | — | — | |
| Acetic Acid SCHEMBL137422 | 0.89 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140294739-A1 | COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCs) | WM. WRIGLEY JR. COMPANY (US) | 2014-10-02 | — | — | US | claimed |
| EP-2736520-A2 | COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCS) | Wm. Wrigley Jr. Company (US) | 2014-06-04 | — | — | EP | claimed |
| WO-2013015979-A2 | COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCS) | WM. WRIGLEY JR. COMPANY (US) | 2013-01-31 | — | — | WO | claimed |
| US-20150147365-A1 | ORAL PREPARATION | DSM IP ASSETS B.V. (NL) | 2015-05-28 | — | — | US | disclosed |
| WO-2013178809-A2 | ORAL PREPARATION | DSM IP ASSETS B.V. (NL) | 2013-12-05 | — | — | WO | disclosed |