⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11016040 | 0.70 | — | — | |
| SCHEMBL9794500 | 0.70 | SHBG (0.41) | — | |
| SCHEMBL10779865 | 0.69 | CYP1A2 (0.40) | — | |
| SCHEMBL6318304 | 0.69 | CYP1A2 (0.40) | — | |
| SCHEMBL27461329 | 0.69 | — | — | |
| SCHEMBL27735641 | 0.65 | — | — | |
| SCHEMBL28440299 | 0.63 | — | — | |
| SCHEMBL11668312 | 0.62 | CYP1A2 (0.34) | — | |
| SCHEMBL5918191 | 0.62 | — | — | |
| SCHEMBL5605998 | 0.62 | CYP1A2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005113525-A1 | N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE | GLAXO GROUP LIMITED (GB) | 2005-12-01 | — | — | WO | disclosed |
| EP-1567488-A1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004050619-A1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2004-06-17 | — | — | WO | disclosed |