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 SCHEMBL1516463 | 0.90 | — | — | |
| Acetic Acid SCHEMBL4394142 | 0.90 | — | — | |
| Acetic Acid SCHEMBL2112596 | 0.88 | — | — | |
| SCHEMBL231393 | 0.86 | — | — | |
| SCHEMBL11500860 | 0.69 | — | — | |
| SCHEMBL11804302 | 0.69 | — | — | |
| Acetic Acid SCHEMBL11473958 | 0.69 | CA1 (0.50) | — | |
| SCHEMBL16389750 | 0.67 | — | — | |
| Bromide SCHEMBL3626984 | 0.66 | DNM1 (0.31) | — | |
| Acetic Acid SCHEMBL11467289 | 0.65 | CA1 (0.40) | — |
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-20080306182-A1 | Reactive filler for dental cements | BRUGGER STEFAN | 2008-12-11 | — | — | US | disclosed |
| US-20060160919-A1 | Reactive filler for dental cements | DENTSPLY DE TREY GMBH (DE) | 2006-07-20 | — | — | US | disclosed |
| EP-1634561-A1 | Reactive filler for dental cements | DENTSPLY DETREY GmbH (DE) | 2006-03-15 | — | — | EP | disclosed |