⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5696339 | 0.84 | — | — | |
| SCHEMBL9796577 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL2503287 | 0.78 | — | — | |
| SCHEMBL1725799 | 0.77 | — | — | |
| SCHEMBL27567264 | 0.77 | — | — | |
| SCHEMBL27628307 | 0.74 | — | — | |
| SCHEMBL9494791 | 0.73 | — | — | |
| Bromide SCHEMBL6699241 | 0.71 | — | — | |
| SCHEMBL41477 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL169184 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5026903-A | Using homogeneous catalyst system of rhodium, lithium iodide and ligand selected from nitrogen, phosphorous, arsenic, antimony and bismuth organic component | UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |
| US-4513151-A | Acetaldehyde process | UNION CARBIDE CORPORATION (US) | 1985-04-23 | — | — | US | disclosed |