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 SCHEMBL4380802 | 1.00 | FFAR3 (0.44) | — | |
| Acetic Acid SCHEMBL4772902 | 0.97 | FFAR3 (0.41) | — | |
| Acetic Acid SCHEMBL582893 | 0.97 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL9202821 | 0.90 | — | — | |
| Methacrylic Acid SCHEMBL28334060 | 0.86 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL11120881 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28925246 | 0.84 | — | — | |
| SCHEMBL54589 | 0.83 | — | — | |
| SCHEMBL3161530 | 0.83 | — | — | |
| SCHEMBL41930 | 0.83 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10766846-B2 | Method for producing and purifying 1,3-butadiene | IFP Energies Nouvelles (FR) | 2020-09-08 | — | — | US | disclosed |
| US-10647624-B2 | Method for producing butadiene from butanediols | IFP Energies Nouvelles (FR) | 2020-05-12 | — | — | US | disclosed |
| EP-3390326-B1 | METHOD FOR PRODUCING BUTADIENE FROM BUTANEDIOLS | IFP ENERGIES NOW (FR) | 2019-11-20 | — | — | EP | disclosed |
| EP-3259247-B1 | PROCESS FOR PRODUCING 1,3 BUTADIENE FROM 1,4 BUTANEDIOL | IFP ENERGIES NOW (FR) | 2019-10-23 | — | — | EP | disclosed |
| US-20190300470-A1 | METHOD FOR PRODUCING AND PURIFYING 1,3-BUTADIENE | IFP Energies Nouvelles (FR) | 2019-10-03 | — | — | US | disclosed |
| US-10421706-B2 | Method for esterification of a diol using a reactive distillation | IFP Energies Nouvelles (FR) | 2019-09-24 | — | — | US | disclosed |
| US-10322978-B2 | Method for producing 1,3-butadiene from 1,4-butanediol | IFP Energies Nouvelles (FR) | 2019-06-18 | — | — | US | disclosed |
| US-20180370869-A1 | METHOD FOR PRODUCING BUTADIENE FROM BUTANEDIOLS | IFP Energies Nouvelles (FR) | 2018-12-27 | — | — | US | disclosed |
| EP-3259244-B1 | PROCESS FOR PRODUCING DIOLEFINS FROM A DILUTE DIOL FEEDSTOCK | IFP ENERGIES NOW (FR) | 2018-12-26 | — | — | EP | disclosed |
| EP-3390326-A1 | METHOD FOR PRODUCING BUTADIENE FROM BUTANEDIOLS | IFP Energies nouvelles (FR) | 2018-10-24 | — | — | EP | disclosed |
| EP-0749429-B1 | 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST AG (DE) | 1999-06-30 | — | — | EP | disclosed |
| US-5814627-A | ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES | HOECHST AKTIENEGESELLSCHAFT (DE) | 1998-09-29 | — | — | US | disclosed |
| EP-0749429-A1 | 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024397-A1 | 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-09-14 | — | — | WO | disclosed |
| EP-0655993-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID FROM BUTADIENE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| WO-1994004479-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID FROM BUTADIENE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-03-03 | — | — | WO | disclosed |
| US-5250726-A | Reacting butadiene, carbon monoxide and water using a carboxylic acid solvent, a rhodium catalyst, a sulfonic acid catalyst and an iodide promoter | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| US-4645863-A | REACTING CONJUGATED IDENE WITH WATER AND/OR AQUEOUS CARBOXYLIC ACID USING ION EXCHANGER AND POLAR APROTIC SOLVENT IN HOMOGENEOUS PHASE | BASF AKTIENGESELLSCHAFT (DE) | 1987-02-24 | — | — | US | disclosed |
| EP-0084133-B1 | PROCESS FOR THE PREPARATION OF UNSATURATED ALCOHOLS AND/OR OF THEIR ESTERS | BASF Aktiengesellschaft (DE) | 1985-10-09 | — | — | EP | disclosed |
| EP-0084133-A2 | Process for the preparation of unsaturated alcohols and/or of their esters | BASF Aktiengesellschaft (DE) | 1983-07-27 | — | — | EP | disclosed |