⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8129488 | 1.00 | — | — | |
| SCHEMBL8159738 | 0.78 | — | — | |
| SCHEMBL14938 | 0.78 | — | — | |
| SCHEMBL665551 | 0.78 | — | — | |
| Bromide SCHEMBL11714675 | 0.72 | — | — | |
| SCHEMBL5026208 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL1178824 | 0.72 | — | — | |
| Bromide SCHEMBL11163335 | 0.72 | — | — | |
| SCHEMBL22493054 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1529279 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0657457-B1 | Fluorinated diazabicycloalkane derivatives | AIR PROD & CHEM (US) | 2000-07-05 | — | — | EP | disclosed |
| EP-0657457-A1 | Novel fluorinated diazabicycloalkane derivatives | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-06-14 | — | — | EP | disclosed |