⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5721515 | 0.85 | — | — | |
| SCHEMBL5721655 | 0.85 | METAP2 (0.31) | — | |
| SCHEMBL5608634 | 0.85 | — | — | |
| SCHEMBL5721121 | 0.84 | — | — | |
| SCHEMBL5721350 | 0.84 | — | — | |
| SCHEMBL5608762 | 0.83 | — | — | |
| SCHEMBL5721757 | 0.83 | — | — | |
| SCHEMBL5721339 | 0.83 | RXRA (0.32) | — | |
| SCHEMBL5721385 | 0.81 | — | — | |
| SCHEMBL5721632 | 0.80 | CA12 (0.32) | — |
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-1640377-B1 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEM PATENTS INC (US) | 2007-07-25 | — | — | EP | disclosed |