⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28746089 | 0.86 | — | — | |
| SCHEMBL15779797 | 0.82 | — | — | |
| SCHEMBL25608674 | 0.78 | — | — | |
| SCHEMBL14304308 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29224660 | 0.76 | — | — | |
| SCHEMBL21320799 | 0.74 | — | — | |
| SCHEMBL27747000 | 0.73 | — | — | |
| SCHEMBL15780012 | 0.72 | LPAR1 (0.36) | — | |
| SCHEMBL13810693 | 0.71 | — | — | |
| SCHEMBL18984912 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7550481-B2 | Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK & CO., INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-20070142634-A1 | Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME LLC | 2007-06-21 | — | — | US | disclosed |