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 SCHEMBL10629883 | 0.95 | CA1 (0.89) | — | |
| Acetic Acid SCHEMBL16122 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1931854 | 0.95 | CA1 (0.89) | — | |
| Acetic Acid SCHEMBL14562618 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL6327935 | 0.90 | — | — | |
| Acetic Acid SCHEMBL25229790 | 0.90 | — | — | |
| Acetic Acid SCHEMBL11113301 | 0.90 | — | — | |
| Acetic Acid SCHEMBL5867224 | 0.90 | — | — | |
| Acetic Acid SCHEMBL17136009 | 0.90 | — | — | |
| Acetic Acid SCHEMBL15054471 | 0.90 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648064-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |
| US-8648205-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2627182-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | The University of Akron (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2488534-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | The University of Akron (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2012050629-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2012-04-19 | — | — | WO | disclosed |
| WO-2011046942-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2011-04-21 | — | — | WO | disclosed |
| US-20110086830-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2011-04-14 | — | — | US | disclosed |