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 SCHEMBL28320419 | 0.90 | — | — | |
| Bicarbonate SCHEMBL28844244 | 0.87 | FFAR3 (0.40) | — | |
| Bicarbonate SCHEMBL28016419 | 0.86 | — | — | |
| Acetone SCHEMBL10338997 | 0.86 | — | — | |
| SCHEMBL962286 | 0.83 | — | — | |
| Acetic Acid SCHEMBL7309563 | 0.82 | — | — | |
| Acetic Acid SCHEMBL9332694 | 0.82 | — | — | |
| Acetic Acid SCHEMBL10743699 | 0.82 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL495776 | 0.82 | — | — | |
| Hydrogen Peroxide SCHEMBL28182850 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207408-B | With N, the manufacturing method of the compound of bis- (2- hydroxyl -3- chloropropyl) amino of N- | 东丽精细化工株式会社 | 2019-06-07 | — | — | CN | disclosed |