⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6296240 | 0.98 | — | — | |
| SCHEMBL7632463 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1477062 | 0.73 | — | — | |
| SCHEMBL814330 | 0.71 | — | — | |
| SCHEMBL3838550 | 0.69 | — | — | |
| Fluoride SCHEMBL1131341 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7087333 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL617837 | 0.69 | — | — | |
| SCHEMBL5688168 | 0.67 | — | — | |
| SCHEMBL6303002 | 0.66 | — | — |
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-1326872-B1 | LIGANDS WITH AT LEAST A FLUOROSILICONE SUBSTITUENT USEFUL FOR PREPARING METALLOCENES | TOTAL PETROCHEMICALS FRANCE (FR) | 2006-03-01 | — | — | EP | disclosed |
| US-20040044235-A1 | Ligands with at least a fluorosilcone substituent useful for preparing metal-locenes | TOTAL PETROCHEMICALS FRANCE (FR) | 2004-03-04 | — | — | US | disclosed |