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 SCHEMBL6675821 | 1.00 | TDP1 (0.47) | — | |
| Aminomethylamide SCHEMBL2559457 | 0.80 | — | — | |
| Acetic Acid SCHEMBL16539997 | 0.79 | TDP1 (0.60) | — | |
| Acetic Acid SCHEMBL1140278 | 0.79 | — | — | |
| SCHEMBL1261724 | 0.79 | — | — | |
| Aminomethylamide SCHEMBL27523790 | 0.78 | GLRA1 (0.47) | — | |
| Glycine SCHEMBL27995763 | 0.77 | TDP1 (0.67) | — | |
| Methacrylic Acid SCHEMBL1399515 | 0.77 | TDP1 (0.50) | — | |
| Acetic Acid SCHEMBL11293616 | 0.76 | TDP1 (0.56) | — | |
| Acetic Acid SCHEMBL7053690 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1282394-B1 | USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT | OREAL (FR) | 2004-09-29 | — | — | EP | disclosed |
| EP-1282394-A1 | USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT | L'OREAL (FR) | 2003-02-12 | — | — | EP | disclosed |
| WO-2001087253-A1 | USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT | L'OREAL (FR) | 2001-11-22 | — | — | WO | disclosed |