⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5721366 | 0.93 | — | — | |
| SCHEMBL5721359 | 0.92 | — | — | |
| SCHEMBL5721608 | 0.88 | — | — | |
| SCHEMBL5721486 | 0.88 | — | — | |
| SCHEMBL5721282 | 0.87 | HEXA (0.32) | — | |
| SCHEMBL5721210 | 0.87 | — | — | |
| SCHEMBL5721283 | 0.86 | — | — | |
| SCHEMBL5721700 | 0.84 | GABRA1 (0.30) | — | |
| SCHEMBL5721951 | 0.84 | ELANE (0.31) | — | |
| SCHEMBL5721862 | 0.83 | HTR7 (0.31) | — |
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 |