⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28145643 | 0.87 | — | — | |
| SCHEMBL612516 | 0.82 | — | — | |
| SCHEMBL7087934 | 0.82 | — | — | |
| SCHEMBL28079963 | 0.82 | — | — | |
| SCHEMBL11435176 | 0.82 | — | — | |
| SCHEMBL5627543 | 0.82 | — | — | |
| SCHEMBL81338 | 0.82 | — | — | |
| SCHEMBL7956572 | 0.82 | — | — | |
| SCHEMBL715403 | 0.82 | — | — | |
| SCHEMBL28186011 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106669725-A | Preparation method of multi-component compound oxide catalyst composition for treating methylene blue wastewater | 湖北工业大学 | 2017-05-17 | — | — | CN | claimed |
| CN-1013881-B | Production method of controllable atmosphere containing carbon monoxide and nitrogen base | SHANXI COAL CHEM INST (CN) | 1991-09-11 | — | — | CN | claimed |
| CN-106669725-A | Preparation method of multi-component compound oxide catalyst composition for treating methylene blue wastewater | 湖北工业大学 | 2017-05-17 | — | — | CN | disclosed |