⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335066 | 0.82 | — | — | |
| Carbon Monoxide SCHEMBL8973345 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL27959148 | 0.73 | — | — | |
| Carbon Monoxide SCHEMBL5306195 | 0.71 | — | — | |
| SCHEMBL899446 | 0.71 | — | — | |
| Carbon Monoxide SCHEMBL1331063 | 0.71 | — | — | |
| Carbon Monoxide SCHEMBL1376860 | 0.71 | — | — | |
| Carbon Monoxide SCHEMBL1111 | 0.71 | — | — | |
| Carbon Monoxide SCHEMBL7118020 | 0.67 | — | — | |
| Formaldehyde SCHEMBL17923746 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8697907-B2 | Process for the production of acetic acid | BP CHEMICALS LIMITED (GB) | 2014-04-15 | — | — | US | disclosed |
| US-20100228051-A1 | Process for the Production of Acetic Acid | BP CHEMICALS LIMITED (GB) | 2010-09-09 | — | — | US | disclosed |
| EP-1996537-A1 | PROCESS FOR THE PRODUCTION OF ACETIC ACID | BP Chemicals Limited (GB) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007107724-A1 | PROCESS FOR THE PRODUCTION OF ACETIC ACID | BP CHEMICALS LIMITED (GB) | 2007-09-27 | — | — | WO | disclosed |
| CN-1116563-A | Separation of organophosphorus-ruthenium complexes as catalysts and process for their reuse | MITSUBISHI CHEM CORP (JP) | 1996-02-14 | — | — | CN | disclosed |
| EP-0453948-B1 | Method for producing 1,4-butanediol | MITSUBISHI CHEM IND (JP) | 1995-03-01 | — | — | EP | disclosed |
| US-5077442-A | METHOD FOR PRODUCING 1,4-BUTANEDIOL | MITSUBISHI KASEI CORPORATION (JP) | 1991-12-31 | — | — | US | disclosed |
| EP-0453948-A2 | Method for producing 1,4-butanediol | Mitsubishi Chemical Corporation (JP) | 1991-10-30 | — | — | EP | disclosed |