⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL148908 | 0.93 | — | — | |
| SCHEMBL4191989 | 0.86 | — | — | |
| SCHEMBL11663792 | 0.86 | — | — | |
| SCHEMBL11555466 | 0.86 | — | — | |
| SCHEMBL8075789 | 0.86 | — | — | |
| SCHEMBL10355566 | 0.86 | — | — | |
| SCHEMBL542914 | 0.86 | — | — | |
| SCHEMBL11659827 | 0.86 | — | — | |
| SCHEMBL732977 | 0.67 | — | — | |
| SCHEMBL2471661 | 0.62 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110937989-B | Synthesis method of acetic acid | 中国石油化工股份有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-110937989-B | Synthesis method of acetic acid | 中国石油化工股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-110937989-A | Synthesis method of acetic acid | 中国石油化工股份有限公司 | 2020-03-31 | — | — | CN | disclosed |
| EP-2162416-B1 | GAS PHASE PROCESS FOR MONOALCOHOL PRODUCTION FROM GLYCEROL | BIOFUEL SOLUTION I MALMOE AB (SE) | 2018-10-24 | — | — | EP | disclosed |
| EP-1071647-A1 | PROCESS FOR THE PRODUCTION OF ACETIC ACID AND/OR ACETIC ANHYDRIDE | BP Chemicals Limited (GB) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054273-A1 | PROCESS FOR THE PRODUCTION OF ACETIC ACID AND/OR ACETIC ANHYDRIDE | BP CHEMICALS LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |
| US-5942460-A | MIXTURE OF ACETIC ACID, AN IRIDIUM CATALYST, METHYL IODIDE WITH METHYL ACETATE AS PROMOTER | BP CHEMICALS LIMITED (GB) | 1999-08-24 | — | — | US | disclosed |
| US-5883266-A | OXOPENTANOIC ACID, CATALYTIC HYDROGENATION AND RING OPENING AND WITHDRAWAL A HYDROGENATED PRODUCT | BATTELLE MEMORIAL INSTITUTE (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0643034-B1 | Process and catalyst for the production of acetic acid | BP CHEM INT LTD (GB) | 1998-05-27 | — | — | EP | disclosed |
| US-5672743-A | CATALYTIC CARBONYLATION OF METHANOL WITH CARBON MONOOXIDE IN LIQUID COMPOSITION INCLUDING PROMOTER RUTHENIUM OR OSMIUM COMPOUND | BP CHEMICALS LIMITED (GB) | 1997-09-30 | — | — | US | disclosed |
| EP-0643034-A1 | Process for the production of acetic acid | BP Chemicals Limited (GB) | 1995-03-15 | — | — | EP | disclosed |
| EP-0063105-B1 | PROCESS FOR PRODUCING ETHYL ACETATE BY HOMOLOGATION OF METHYL ACETATE | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1985-03-13 | — | — | EP | disclosed |
| EP-0063105-A1 | Process for producing ethyl acetate by homologation of methyl acetate | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1982-10-20 | — | — | EP | disclosed |