⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7079601 | 0.84 | HSP90AA1 (0.33) | — | |
| SCHEMBL7079652 | 0.84 | P2RX7 (0.32) | — | |
| SCHEMBL7082454 | 0.83 | — | — | |
| SCHEMBL7085592 | 0.81 | HDAC4 (0.31) | — | |
| SCHEMBL7079060 | 0.71 | HDAC4 (0.38) | — | |
| SCHEMBL7080253 | 0.63 | HDAC4 (0.32) | — | |
| SCHEMBL7083525 | 0.62 | P2RX7 (0.33) | — | |
| SCHEMBL1010124 | 0.58 | NFKB1 (0.54) | — | |
| SCHEMBL1010123 | 0.58 | NFKB1 (0.54) | — | |
| SCHEMBL28026945 | 0.56 | MAOB (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003064372-A1 | 2-ADAMANTYLALKYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION | VERNALIS RESEARCH LIMITED (GB) | 2003-08-07 | — | — | WO | disclosed |