⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL390428 | 0.81 | — | — | |
| SCHEMBL104786 | 0.74 | — | — | |
| SCHEMBL30350717 | 0.74 | — | — | |
| SCHEMBL3083442 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9879440 | 0.72 | KMT2A (0.52) | — | |
| SCHEMBL8567565 | 0.70 | — | — | |
| SCHEMBL14294085 | 0.70 | — | — | |
| SCHEMBL2871343 | 0.70 | — | — | |
| SCHEMBL1586698 | 0.70 | — | — | |
| SCHEMBL29267478 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858642-B2 | Substituted hydroxyethylamine aspartyl protease inhibitors | ELAN PHARMACEUTICALS, INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-20090270367-A1 | SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. | 2009-10-29 | — | — | US | disclosed |
| EP-1730125-A2 | SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-12-13 | — | — | EP | disclosed |
| US-20050239836-A1 | Substituted hydroxyethylamine aspartyl protease inhibitors | ELAN PHARMACEUTICALS, INC. | 2005-10-27 | — | — | US | disclosed |
| WO-2005087751-A2 | SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |