⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18949176 | 0.77 | — | — | |
| SCHEMBL2633391 | 0.76 | — | — | |
| SCHEMBL1762925 | 0.72 | — | — | |
| SCHEMBL27711444 | 0.71 | — | — | |
| SCHEMBL19514367 | 0.71 | — | — | |
| SCHEMBL29543647 | 0.71 | — | — | |
| SCHEMBL28881697 | 0.70 | — | — | |
| SCHEMBL15825344 | 0.69 | SCN10A (0.34) | — | |
| SCHEMBL1024090 | 0.69 | — | — | |
| SCHEMBL21176604 | 0.68 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659289-B2 | Hydroxyethylene-based β-secretase inhibitors and use thereof | COMENTIS, INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20080207527-A1 | Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof | COMENTIS, INC. (US) | 2008-08-28 | — | — | US | disclosed |
| US-20080125467-A1 | Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof | COMENTIS, INC. | 2008-05-29 | — | — | US | disclosed |
| US-7335632-B2 | Beta-secretase inhibitors and methods of use thereof | COMENTIS, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| EP-1799660-A2 | AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1797052-A1 | BICYCLIC COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034296-A2 | AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2006-03-30 | — | — | WO | disclosed |
| WO-2006034277-A1 | BICYCLIC COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2006-03-30 | — | — | WO | disclosed |
| US-20050239684-A1 | Compounds which inhibit beta-secretase activity and methods of use thereof | ZAPAQ, INC. (US) | 2005-10-27 | — | — | US | disclosed |