⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5890347 | 0.93 | CNR1 (0.32) | — | |
| SCHEMBL5889865 | 0.93 | — | — | |
| SCHEMBL5890552 | 0.92 | — | — | |
| SCHEMBL1583137 | 0.90 | — | — | |
| SCHEMBL5890562 | 0.89 | — | — | |
| SCHEMBL5890013 | 0.86 | — | — | |
| SCHEMBL5890018 | 0.85 | — | — | |
| SCHEMBL5891194 | 0.85 | BCHE (0.30) | — | |
| SCHEMBL5890489 | 0.84 | — | — | |
| SCHEMBL141498 | 0.84 | — | — |
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 |