⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5721443 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL5609141 | 0.90 | — | — | |
| SCHEMBL5609226 | 0.90 | — | — | |
| SCHEMBL5721355 | 0.88 | — | — | |
| SCHEMBL5721667 | 0.88 | — | — | |
| SCHEMBL5721279 | 0.88 | — | — | |
| SCHEMBL5721656 | 0.87 | — | — | |
| SCHEMBL5609918 | 0.85 | — | — | |
| SCHEMBL5610510 | 0.85 | — | — | |
| SCHEMBL27509133 | 0.85 | KDM4E (0.30) | — |
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 |