⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1860072 | 0.91 | — | — | |
| 1-Methylimidazole SCHEMBL3638791 | 0.82 | — | — | |
| SCHEMBL21986627 | 0.79 | — | — | |
| SCHEMBL5523602 | 0.78 | — | — | |
| SCHEMBL3399075 | 0.77 | — | — | |
| Iodide SCHEMBL2993216 | 0.75 | — | — | |
| SCHEMBL30192578 | 0.75 | — | — | |
| SCHEMBL16107840 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4474490 | 0.74 | TBXAS1 (0.43) | — | |
| SCHEMBL25362424 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205545-A2 | PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL | E. I. du Pont de Nemours and Company (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2185494-A2 | PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL | E. I. du Pont de Nemours and Company (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009032961-A2 | PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-03-12 | — | — | WO | disclosed |
| WO-2009032962-A2 | PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-03-12 | — | — | WO | disclosed |