⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17813823 | 0.74 | — | — | |
| SCHEMBL10394064 | 0.74 | — | — | |
| SCHEMBL445515 | 0.74 | — | — | |
| SCHEMBL3077330 | 0.72 | — | — | |
| SCHEMBL115576 | 0.71 | — | — | |
| SCHEMBL9484 | 0.70 | EPHX1 (0.50) | — | |
| SCHEMBL10203657 | 0.69 | — | — | |
| SCHEMBL45851 | 0.67 | — | — | |
| SCHEMBL18537457 | 0.67 | — | — | |
| SCHEMBL9349220 | 0.67 | TAS2R38 (0.61) | — |
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-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |