⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1426491 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL23199910 | 0.74 | — | — | |
| SCHEMBL8756401 | 0.69 | — | — | |
| SCHEMBL4871091 | 0.65 | — | — | |
| Iodide SCHEMBL27948573 | 0.65 | — | — | |
| Bromide SCHEMBL5406114 | 0.65 | — | — | |
| Fluoride Ion SCHEMBL5400996 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3670660 | 0.65 | — | — | |
| SCHEMBL5391737 | 0.63 | — | — | |
| SCHEMBL1448500 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1263764-B1 | METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS | EXXONMOBIL CHEM PATENTS INC (US) | 2004-04-14 | — | — | EP | disclosed |