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 | |
|---|---|---|---|---|
| SCHEMBL10726020 | 0.88 | — | — | |
| Propionic Acid SCHEMBL11221558 | 0.86 | FFAR3 (0.32) | — | |
| SCHEMBL11222393 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL16190058 | 0.71 | — | — | |
| Acetic Acid SCHEMBL14244268 | 0.70 | FFAR3 (0.47) | — | |
| SCHEMBL12749019 | 0.68 | ALDH1A1 (0.31) | — | |
| Propionic Acid SCHEMBL11224080 | 0.68 | CYP2C9 (0.33) | — | |
| Acetic Acid SCHEMBL11222391 | 0.68 | — | — | |
| SCHEMBL10454938 | 0.67 | — | — | |
| SCHEMBL8152339 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4351347-A | SMOKING TOBACCO; FOODS; DRUGS; CHEWING GUM; DENTIFRICES; COSMETICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-09-28 | — | — | US | disclosed |
| US-4349449-A | Process for enhancing or augmenting the aroma of detergents using norbornyl esters | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4315945-A | FOR FOODS OR CHEWING GUM | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-16 | — | — | US | disclosed |