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 SCHEMBL9600657 | 0.95 | CA1 (0.73) | — | |
| Acetic Acid SCHEMBL10353069 | 0.95 | CA1 (0.73) | — | |
| Acetic Acid SCHEMBL9524565 | 0.95 | CA1 (0.82) | — | |
| Acetic Acid SCHEMBL8854294 | 0.95 | CA1 (0.73) | — | |
| Acetic Acid SCHEMBL9244992 | 0.95 | CA1 (0.73) | — | |
| Acetic Acid SCHEMBL5852185 | 0.95 | CA1 (0.89) | — | |
| Acetic Acid SCHEMBL1840651 | 0.95 | — | — | |
| Acetic Acid SCHEMBL54008 | 0.95 | — | — | |
| Acetic Acid SCHEMBL9681810 | 0.91 | CA1 (0.67) | — | |
| Acetic Acid SCHEMBL9680537 | 0.91 | CA1 (0.75) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4393243-A | COBALT ACETATE-BROMIDE CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1983-07-12 | — | — | US | claimed |
| EP-0036651-B1 | PREPARATION OF 3-OXO-ALPHA-IONONE | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-05-11 | — | — | EP | claimed |
| CN-102076408-A | Catalytic oxidation reactions in supercritical or near-supercritical water for production of aromatic carboxylic acid | INVISTA TECH SARL | 2011-05-25 | — | — | CN | disclosed |
| EP-0891379-B1 | PROCESS FOR OXIDATIVE FUNCTIONALIZATION OF POLYMERS CONTAINING ALKYLSTYRENE | EXXON CHEMICAL PATENTS INC (US) | 2001-03-21 | — | — | EP | disclosed |
| EP-0891379-A1 | PROCESS FOR OXIDATIVE FUNCTIONALIZATION OF POLYMERS CONTAINING ALKYLSTYRENE | EXXON CHEMICAL PATENTS INC. (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5814707-A | Process for oxidative functionalization of polymers containing alkylstyrene | EXXON CHEMICAL PATENTS INC. (US) | 1998-09-29 | — | — | US | disclosed |
| US-5814708-A | Process for oxidative functionalization of polymers containing alkylstyrene | EXXON CHEMICAL PATENTS INC. (US) | 1998-09-29 | — | — | US | disclosed |
| US-5807931-A | Process for oxidative functionalization of polymers containing alkylstyrene | EXXON CHEMICAL PATENTS INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5679748-A | Process for oxidative functionalization of polymers containing alkylstyrene | EXXON CHEMICAL PATENTS INC. (US) | 1997-10-21 | — | — | US | disclosed |
| WO-1997038026-A1 | PROCESS FOR OXIDATIVE FUNCTIONALIZATION OF POLYMERS CONTAINING ALKYLSTYRENE | EXXON CHEMICAL PATENTS INC. (US) | 1997-10-16 | — | — | WO | disclosed |
| US-5081290-A | Heavy metal compound, bromine source, nonmetal acetate | AMOCO CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| US-4572796-A | 1,1,4,7-Tetramethyl-3-indanone, product produced thereby and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1986-02-25 | — | — | US | disclosed |
| EP-0069597-B1 | PREPARING P-PHENOXY-BENZOYL COMPOUNDS | RAYCHEM CORPORATION (a California corporation) (US) | 1984-10-10 | — | — | EP | disclosed |
| US-4474990-A | Preparing p-phenoxy benzoyl compounds | RAYCHEM CORPORATION (US) | 1984-10-02 | — | — | US | disclosed |
| US-4393243-A | COBALT ACETATE-BROMIDE CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1983-07-12 | — | — | US | disclosed |
| EP-0069597-A1 | Preparing p-phenoxy-benzoyl compounds | RAYCHEM CORPORATION (a California corporation) (US) | 1983-01-12 | — | — | EP | disclosed |
| EP-0036651-A1 | Preparation of 3-oxo-alpha-ionone | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-30 | — | — | EP | disclosed |