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 | |
|---|---|---|---|---|
| SCHEMBL7799508 | 0.90 | — | — | |
| SCHEMBL1130422 | 0.90 | — | — | |
| SCHEMBL2948109 | 0.90 | — | — | |
| SCHEMBL28105582 | 0.78 | G6PD (0.30) | — | |
| SCHEMBL15894640 | 0.76 | — | — | |
| SCHEMBL3301908 | 0.76 | — | — | |
| Acetic Acid SCHEMBL28084604 | 0.76 | — | — | |
| SCHEMBL27456563 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL28882399 | 0.74 | — | — | |
| SCHEMBL8677761 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112029760-B | Millimeter ball catalyst for one-step synthesis of chiral alcohol and chiral ester from acetophenone | 山西大学 | 2021-11-19 | — | — | CN | disclosed |
| CN-112029760-A | Millimeter ball catalyst for one-step synthesis of chiral alcohol and chiral ester from acetophenone | 山西大学 | 2020-12-04 | — | — | CN | disclosed |