⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13490 | 0.95 | — | — | |
| SCHEMBL5758677 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL1923639 | 0.90 | — | — | |
| SCHEMBL474594 | 0.90 | — | — | |
| SCHEMBL9450700 | 0.90 | — | — | |
| Iodide SCHEMBL11827015 | 0.90 | — | — | |
| Phosphine SCHEMBL5861366 | 0.90 | — | — | |
| SCHEMBL2080760 | 0.90 | — | — | |
| SCHEMBL1053689 | 0.90 | — | — | |
| SCHEMBL15013460 | 0.90 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108349865-A | The method for producing acetic acid | 国际人造丝公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108349864-A | Purification acetic acid and the method for making acid anhydrides be hydrated | 国际人造丝公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107759452-A | A kind of method that acetaldehyde is reclaimed in the waste water from production of acetic acid | 中国石油化工股份有限公司 | 2018-03-06 | — | — | CN | disclosed |
| WO-2008153708-A2 | REACTION PRODUCT OF RHODIUM-CATALYZED METHANOL CARBONYLATION | CELANESE INTERNATIONAL CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |