⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13715152 | 0.80 | — | — | |
| SCHEMBL14462734 | 0.73 | — | — | |
| SCHEMBL12161132 | 0.72 | — | — | |
| SCHEMBL14462726 | 0.70 | — | — | |
| SCHEMBL13559397 | 0.65 | LMNA (0.37) | — | |
| SCHEMBL13345662 | 0.63 | — | — | |
| SCHEMBL13506676 | 0.62 | — | — | |
| SCHEMBL12161147 | 0.60 | PKM (0.34) | — | |
| SCHEMBL12161087 | 0.60 | — | — | |
| SCHEMBL12611075 | 0.60 | LMNA (0.38) | — |
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-20100036153-A1 | Method for Producing Substituted Diamantanes | JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) | 2010-02-11 | — | — | US | disclosed |