⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14087497 | 0.78 | — | — | |
| SCHEMBL21150811 | 0.75 | — | — | |
| SCHEMBL171884 | 0.72 | — | — | |
| SCHEMBL21523575 | 0.71 | — | — | |
| SCHEMBL21523574 | 0.71 | — | — | |
| SCHEMBL21504903 | 0.70 | — | — | |
| SCHEMBL22487804 | 0.70 | — | — | |
| SCHEMBL25906686 | 0.70 | — | — | |
| SCHEMBL24200120 | 0.69 | — | — | |
| SCHEMBL24200262 | 0.69 | — | — |
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-2003030886-A2 | ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC (US) | 2003-04-17 | — | — | WO | disclosed |