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 SCHEMBL6290880 | 0.96 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL6517807 | 0.96 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL6113 | 0.96 | — | — | |
| Acetic Acid SCHEMBL10590923 | 0.96 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL27432872 | 0.96 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL10699892 | 0.92 | — | — | |
| Acetic Acid SCHEMBL29033681 | 0.92 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL6910854 | 0.92 | — | — | |
| Acetic Acid SCHEMBL20943720 | 0.92 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL28460098 | 0.92 | FFAR3 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |
| US-6399726-B1 | USING COORDINATION CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-04 | — | — | US | disclosed |
| EP-1032603-A1 | CATALYST COMPONENTS FOR THE POLYMERIZATION OF DIENES, CATALYST OBTAINED THEREFROM, AND PROCESS FOR THE PREPARATION OF POLYDIENES USING THE SAME | Montell Technology Company B.V. (NL) | 2000-09-06 | — | — | EP | disclosed |
| WO-2000018812-A1 | CATALYST COMPONENTS FOR THE POLYMERIZATION OF DIENES, CATALYST OBTAINED THEREFROM, AND PROCESS FOR THE PREPARATION OF POLYDIENES USING THE SAME | MONTELL TECHNOLOGY COMPANY BV (NL) | 2000-04-06 | — | — | WO | disclosed |
| US-5908904-A | RARE EARTH COMPOUND; TRIALKYLALUMINUM, DIALKYLALUMINUM HYDRIDE OR ALUMOXANE; ANOTHER LEWIS ACID; INERT, PARTICULATE INORGANIC SOLID WITH A SPECIFIC SURFACE OF GREATER THAN 10 M.SUP.2 /G (BET) AND A PORE VOLUME OF 0.3 TO 15 ML/G. | BAYER AG (DE) | 1999-06-01 | — | — | US | disclosed |
| US-5858903-A | POWDERED COORDINATION CATALYST OF AN ORGANIC RARE EARTH COMPOUND AND AN ORGANOALUMINUM COMPOUND; SOLVENT-FREE; POLLUTION CONTROL; POLYBUTADIENE AND POLYISOPRENE SYNTHETIC RUBBERS; TIRES | BAYER AG (DE) | 1999-01-12 | — | — | US | disclosed |