⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22616771 | 0.75 | — | — | |
| SCHEMBL6012041 | 0.72 | — | — | |
| SCHEMBL218255 | 0.69 | — | — | |
| SCHEMBL22616675 | 0.69 | — | — | |
| SCHEMBL28657902 | 0.67 | — | — | |
| SCHEMBL9440602 | 0.63 | — | — | |
| SCHEMBL4452535 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4446419 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL5184073 | 0.62 | — | — | |
| SCHEMBL16223816 | 0.62 | — | — |
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-0876383-A1 | PURIFICATION OF METALLOCENES | ALBEMARLE CORPORATION (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997021717-A1 | PURIFICATION OF METALLOCENES | ALBEMARLE CORPORATION (US) | 1997-06-19 | — | — | WO | disclosed |