⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL588101 | 0.91 | — | — | |
| SCHEMBL4160308 | 0.88 | — | — | |
| SCHEMBL514906 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27557719 | 0.88 | — | — | |
| Iodide SCHEMBL14953886 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL14958379 | 0.88 | — | — | |
| SCHEMBL10608851 | 0.88 | — | — | |
| SCHEMBL14954100 | 0.88 | — | — | |
| Fluoride SCHEMBL14953920 | 0.88 | — | — | |
| Bromide SCHEMBL14954286 | 0.88 | — | — |
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-20090056802-A1 | Practical method and means for mechanosynthesis and assembly of precise nanostructures and materials including diamond, programmable systems for performing same; devices and systems produced thereby, and applications thereof | RABANI ELI MICHAEL | 2009-03-05 | — | — | US | disclosed |