⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29743199 | 0.78 | — | — | |
| SCHEMBL45067 | 0.72 | — | — | |
| SCHEMBL30094346 | 0.72 | — | — | |
| SCHEMBL18984854 | 0.72 | — | — | |
| SCHEMBL21924339 | 0.71 | — | — | |
| SCHEMBL4943535 | 0.71 | — | — | |
| SCHEMBL30094227 | 0.69 | — | — | |
| SCHEMBL6114356 | 0.69 | — | — | |
| SCHEMBL6114059 | 0.69 | — | — | |
| SCHEMBL15402899 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5416243-A | Cyclofluoroalkylated fullerene compounds | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995007875-A1 | CYCLOFLUOROALKYLATED FULLERENE COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-03-23 | — | — | WO | disclosed |
| US-5382718-A | Cyclofluoroalkylated fullerene compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-01-17 | — | — | US | disclosed |