⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11062229 | 0.57 | — | — | |
| Water SCHEMBL28319132 | 0.46 | — | — | |
| SCHEMBL28875226 | 0.46 | — | — | |
| Water SCHEMBL27562158 | 0.42 | — | — | |
| SCHEMBL2333761 | 0.42 | — | — | |
| Water SCHEMBL28073903 | 0.42 | — | — | |
| SCHEMBL28232563 | 0.42 | — | — | |
| SCHEMBL697 | 0.42 | — | — | |
| SCHEMBL1505845 | 0.42 | — | — | |
| Water SCHEMBL28116068 | 0.42 | — | — |
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-4446068-A | PERFLUOROBIAZIRIDINE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-05-01 | — | — | US | disclosed |