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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3958028 | 0.93 | PTGS1 (0.31) | — | |
| SCHEMBL3958016 | 0.89 | CXCR1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL931084 | 0.88 | — | — | |
| SCHEMBL2638738 | 0.88 | — | — | |
| Bromide SCHEMBL31207563 | 0.86 | — | — | |
| SCHEMBL15527854 | 0.83 | — | — | |
| SCHEMBL31207557 | 0.81 | — | — | |
| SCHEMBL16061882 | 0.81 | — | — | |
| Acetic Acid SCHEMBL302240 | 0.81 | — | — | |
| SCHEMBL16295012 | 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 |
|---|---|---|---|---|---|---|---|
| US-12037324-B2 | Biarylmethyl heterocycles | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-07-16 | — | — | US | disclosed |
| EP-2368960-A1 | Vapor compression utilizing ionic liquid as compressor lubricant | E. I. du Pont de Nemours and Company (US) | 2011-09-28 | — | — | EP | disclosed |