⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14521524 | 0.78 | — | — | |
| SCHEMBL415601 | 0.74 | — | — | |
| SCHEMBL342505 | 0.71 | — | — | |
| SCHEMBL2396940 | 0.71 | — | — | |
| SCHEMBL14973298 | 0.71 | — | — | |
| Fluoride SCHEMBL3459832 | 0.65 | — | — | |
| Fluoride SCHEMBL3459423 | 0.65 | — | — | |
| Fluoride SCHEMBL3458737 | 0.65 | — | — | |
| SCHEMBL14521525 | 0.64 | — | — | |
| SCHEMBL14683159 | 0.63 | — | — |
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-20090289245-A1 | FACETED CATALYTIC DOTS FOR DIRECTED NANOTUBE GROWTH | INTEL CORPORATION | 2009-11-26 | — | — | US | disclosed |