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 SCHEMBL5508334 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1629111 | 0.95 | CA1 (0.89) | — | |
| Acetic Acid SCHEMBL152373 | 0.95 | — | — | |
| Acetic Acid SCHEMBL31329489 | 0.90 | — | — | |
| Acetic Acid SCHEMBL2465078 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL9768644 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL10344391 | 0.90 | — | — | |
| Acetic Acid SCHEMBL2466189 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL6278277 | 0.90 | — | — | |
| Acetic Acid SCHEMBL28796500 | 0.90 | CA1 (0.80) | — |
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-108727243-A | A kind of preparation method preparing 2-Pyrrolidone by pyroglutamic acid | 中国科学院成都有机化学有限公司 | 2018-11-02 | — | — | CN | claimed |
| CN-108727243-A | A kind of preparation method preparing 2-Pyrrolidone by pyroglutamic acid | 中国科学院成都有机化学有限公司 | 2018-11-02 | — | — | CN | disclosed |