⚠ 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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL457274 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL27500410 | 0.88 | — | — | |
| Propylamine SCHEMBL7250435 | 0.82 | — | — | |
| Acetonitrile SCHEMBL2132295 | 0.82 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL5142246 | 0.80 | LMNA (0.31) | — | |
| Propane SCHEMBL7622911 | 0.78 | — | — | |
| Propane SCHEMBL16416484 | 0.78 | — | — | |
| Propane SCHEMBL28639300 | 0.74 | — | — | |
| Butane SCHEMBL28456059 | 0.74 | — | — | |
| Propane SCHEMBL383771 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620438-A1 | TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004094430-A1 | TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE | GLAXO GROUP LIMITED (GB) | 2004-11-04 | — | — | WO | disclosed |