⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27968 | 0.94 | — | — | |
| SCHEMBL31303963 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL11711644 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9354389 | 0.92 | — | — | |
| Bromide SCHEMBL4254817 | 0.92 | — | — | |
| Acetonitrile SCHEMBL8129305 | 0.82 | — | — | |
| SCHEMBL5978656 | 0.77 | ALDH1A1 (0.67) | — | |
| SCHEMBL8396589 | 0.75 | TSHR (0.64) | — | |
| SCHEMBL4640169 | 0.73 | TSHR (0.59) | — | |
| SCHEMBL20769318 | 0.71 | ALDH1A1 (0.57) | — |
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-7659289-B2 | Hydroxyethylene-based β-secretase inhibitors and use thereof | COMENTIS, INC. (US) | 2010-02-09 | — | — | 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 |
| 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 |
| 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 |