⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29135001 | 1.00 | — | — | |
| SCHEMBL2545935 | 0.84 | — | — | |
| SCHEMBL2545940 | 0.84 | — | — | |
| SCHEMBL16538851 | 0.84 | — | — | |
| SCHEMBL3592627 | 0.81 | — | — | |
| SCHEMBL6426150 | 0.80 | — | — | |
| SCHEMBL3442953 | 0.79 | — | — | |
| SCHEMBL27207431 | 0.76 | — | — | |
| SCHEMBL2095681 | 0.73 | — | — | |
| SCHEMBL29003217 | 0.73 | HCAR2 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740559-B1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-10-15 | — | — | EP | disclosed |
| US-7847100-B2 | 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Inc. (US) | 2010-12-07 | — | — | US | disclosed |
| EP-1740559-A4 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-12-12 | — | — | EP | disclosed |
| US-20070244119-A1 | 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-10-18 | — | — | US | disclosed |
| EP-1740559-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103020-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |