⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5721903 | 0.87 | — | — | |
| SCHEMBL5721459 | 0.86 | — | — | |
| SCHEMBL5721889 | 0.83 | — | — | |
| SCHEMBL5721516 | 0.83 | — | — | |
| SCHEMBL5721168 | 0.82 | METAP2 (0.30) | — | |
| SCHEMBL5721595 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL5721247 | 0.81 | — | — | |
| SCHEMBL5721175 | 0.80 | — | — | |
| SCHEMBL5721805 | 0.78 | RXRB (0.32) | — | |
| SCHEMBL5721293 | 0.78 | IKBKB (0.38) | — |
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-A1 | Metallocenes and catalyst compositions derived therefrom | Exxonmobil Chemical Patents Inc. (US) | 2006-03-29 | — | — | EP | disclosed |