⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5037193 | 0.77 | — | — | |
| SCHEMBL24620798 | 0.70 | — | — | |
| SCHEMBL6687765 | 0.67 | SLC7A5 (0.60) | — | |
| SCHEMBL21093345 | 0.67 | SLC7A5 (0.60) | — | |
| SCHEMBL2815608 | 0.67 | SLC7A5 (0.60) | — | |
| SCHEMBL1157954 | 0.67 | — | — | |
| SCHEMBL4316253 | 0.67 | — | — | |
| SCHEMBL1890480 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL13585525 | 0.65 | SLC7A5 (0.58) | — | |
| SCHEMBL22842688 | 0.64 | CA1 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050107341-A1 | Phosphinic acids | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-19 | — | — | US | claimed |
| EP-1685142-B1 | PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |
| EP-1685142-A1 | PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005044830-A1 | PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-19 | — | — | WO | disclosed |