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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9562373 | 0.91 | — | — | |
| Acetic Acid SCHEMBL1058296 | 0.90 | POLB (0.34) | — | |
| Bicarbonate SCHEMBL5274866 | 0.88 | PLG (0.40) | — | |
| Acetic Acid SCHEMBL3477510 | 0.87 | LMNA (0.39) | — | |
| Methacrylic Acid SCHEMBL496422 | 0.85 | POLB (0.34) | — | |
| Methacrylic Acid SCHEMBL8416544 | 0.85 | POLB (0.34) | — | |
| Acetoacetic Acid SCHEMBL8956946 | 0.83 | PHF8 (0.38) | — | |
| Acetoacetic Acid SCHEMBL9774483 | 0.83 | PHF8 (0.38) | — | |
| Acetic Acid SCHEMBL3477520 | 0.82 | PLG (0.32) | — | |
| Acetic Acid SCHEMBL3477522 | 0.82 | PLG (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114409456-A | Microbial fertilizer and application thereof | 山东农业大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-106242941-A | A kind of synthetic method of Cyclopropylmetyl bromide | 潍坊日兴化工有限公司 | 2016-12-21 | — | — | CN | disclosed |
| EP-2181986-B1 | Process for the preparation of a precursor of montelukast | SYNTHON BV (NL) | 2011-10-19 | — | — | EP | disclosed |
| EP-2181986-A1 | Process for the preparation of a precursor of montelukast | Synthon B.V. (NL) | 2010-05-05 | — | — | EP | disclosed |
| US-7501517-B2 | Process for making montelukast and intermediates therefor | SYNTHON IP, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-20050245569-A1 | Process for making montelukast and intermediates therefor | SYNTHON IP INC. | 2005-11-03 | — | — | US | disclosed |