⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14510705 | 0.86 | — | — | |
| SCHEMBL4333932 | 0.86 | — | — | |
| SCHEMBL14510704 | 0.76 | — | — | |
| SCHEMBL4326277 | 0.74 | — | — | |
| SCHEMBL3847172 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL1395211 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL820267 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL3843949 | 0.61 | MEN1 (0.31) | — | |
| SCHEMBL8084179 | 0.55 | — | — | |
| SCHEMBL13938976 | 0.54 | — | — |
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-7488847-B2 | Fluorinated adamantane and its derivatives | ASAHI GLASS COMPANY, LIMITED (JP) | 2009-02-10 | — | — | US | disclosed |
| US-20070129566-A1 | FLUOROADAMANTANE DERIVATIVE | ASAHI GLASS COMPANY, LIMITED (JP) | 2007-06-07 | — | — | US | disclosed |
| US-20050288528-A1 | Fluorinated adamantane and its derivatives | ASAHI GLASS COMPANY LIMITED (JP) | 2005-12-29 | — | — | US | disclosed |