⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6904377 | 0.86 | — | — | |
| SCHEMBL5076767 | 0.86 | — | — | |
| SCHEMBL17698610 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL5080273 | 0.77 | — | — | |
| SCHEMBL5076771 | 0.72 | — | — | |
| SCHEMBL5080298 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL453557 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL17698511 | 0.70 | — | — | |
| SCHEMBL17698557 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL6898953 | 0.69 | — | — |
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-1964860-A1 | ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER | Tosoh Corporation (JP) | 2008-09-03 | — | — | EP | disclosed |