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 | |
|---|---|---|---|---|
| SCHEMBL5837405 | 0.86 | — | — | |
| SCHEMBL5837413 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8576642 | 0.84 | — | — | |
| Perchlorate SCHEMBL1691338 | 0.79 | — | — | |
| SCHEMBL8356422 | 0.79 | — | — | |
| Acetic Acid SCHEMBL4212381 | 0.75 | ALDH1A1 (0.32) | — | |
| Acetic Acid SCHEMBL2677935 | 0.73 | FFAR3 (0.39) | — | |
| Acetic Acid SCHEMBL27489298 | 0.73 | FFAR3 (0.39) | — | |
| SCHEMBL17962530 | 0.71 | HDAC4 (0.38) | — | |
| SCHEMBL17962529 | 0.71 | HDAC4 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5919987-A | Preparation of alcohols and/or aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |
| US-5387719-A | Preparation of aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 1995-02-07 | — | — | US | disclosed |