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 SCHEMBL1764196 | 0.97 | FFAR3 (0.47) | — | |
| Acetic Acid SCHEMBL2393294 | 0.97 | FFAR3 (0.47) | — | |
| Acetic Acid SCHEMBL27585800 | 0.97 | — | — | |
| Cyclopentanamine SCHEMBL1712011 | 0.91 | FFAR3 (0.41) | — | |
| Cyclohexylamine SCHEMBL27242018 | 0.88 | MMP8 (0.43) | — | |
| Cyclopentanamine SCHEMBL27737094 | 0.88 | MMP8 (0.39) | — | |
| Cyclohexylamine SCHEMBL1427270 | 0.88 | MMP8 (0.43) | — | |
| Cyclohexylamine SCHEMBL27738388 | 0.88 | MMP8 (0.43) | — | |
| Acetic Acid SCHEMBL11819370 | 0.86 | FFAR3 (0.37) | — | |
| Cyclohexylamine SCHEMBL5333302 | 0.86 | MMP8 (0.42) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428747-A | Substituted pyridobenzodiazepine ketone derivative and use thereof | 拜耳制药股份公司 | 2017-12-01 | — | — | CN | disclosed |
| WO-2010011584-A2 | PROCESS FOR MAKING A RENIN INHIBITOR | MERCK & CO., INC. (US) | 2010-01-28 | — | — | WO | disclosed |
| CN-101018785-A | Thiazolinone 2-substituted quinolines | HOFFMANN LA ROCHE (CH) | 2007-08-15 | — | — | CN | disclosed |
| US-7241893-B2 | Thiazolinone 2-substituted quinolines | HOFFMAN-LA ROCHE INC. (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1791836-A1 | THIAZOLINONE 2-SUBSTITUTED QUINOLINES | F. Hoffmann-Roche AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| US-20060063804-A1 | Thiazolinone 2-substituted quinolines | CHEN LI | 2006-03-23 | — | — | US | disclosed |
| WO-2006029863-A1 | THIAZOLINONE 2-SUBSTITUTED QUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-23 | — | — | WO | disclosed |
| US-4156002-A | ANTIINFLAMMAOTRY AGENTS, ANALGESICS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-05-22 | — | — | US | disclosed |