⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL4592125 | 0.82 | — | — | |
| Fluoride SCHEMBL9403092 | 0.82 | — | — | |
| Fluoride SCHEMBL9403147 | 0.82 | — | — | |
| Fluoride SCHEMBL10580759 | 0.82 | — | — | |
| Fluoride SCHEMBL673376 | 0.82 | — | — | |
| Fluoride SCHEMBL8027484 | 0.82 | — | — | |
| Fluoride SCHEMBL673636 | 0.82 | — | — | |
| SCHEMBL3787375 | 0.82 | — | — | |
| Fluoride SCHEMBL673013 | 0.82 | — | — | |
| Fluoride SCHEMBL9403105 | 0.82 | — | — |
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-4309467-A | BORIDES OF LANTHANUM AND MOLYBDENUM | THE UNITED STATES OF AMERICA AS REPRESENTED BY DEPARTMENT OF ENERGY (US) | 1982-01-05 | — | — | US | disclosed |