⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6285767 | 1.00 | — | — | |
| SCHEMBL12744846 | 0.73 | TDP1 (0.50) | — | |
| SCHEMBL8726055 | 0.73 | TDP1 (0.50) | — | |
| SCHEMBL8726056 | 0.73 | TDP1 (0.50) | — | |
| Tert-Butyl Formate SCHEMBL9398245 | 0.71 | — | — | |
| SCHEMBL7169337 | 0.71 | — | — | |
| SCHEMBL7169339 | 0.71 | — | — | |
| SCHEMBL666830 | 0.69 | — | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.67 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.67 | TDP1 (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0506068-A1 | Oxidation of terminal olefins to aldehydes | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-09-30 | — | — | EP | disclosed |
| US-5136105-A | Catalytic reaction in presence of alcohol | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-08-04 | — | — | US | disclosed |