⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5891123 | 0.90 | TSHR (0.32) | — | |
| SCHEMBL5890682 | 0.87 | — | — | |
| SCHEMBL5890862 | 0.87 | — | — | |
| SCHEMBL5889914 | 0.87 | GABRA1 (0.33) | — | |
| SCHEMBL5891344 | 0.85 | — | — | |
| SCHEMBL5890916 | 0.85 | — | — | |
| SCHEMBL5890508 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL5890472 | 0.84 | — | — | |
| SCHEMBL5889878 | 0.84 | — | — | |
| SCHEMBL5889697 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7122498-B2 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-10-17 | — | — | US | disclosed |