⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13387504 | 0.74 | GPR84 (0.37) | — | |
| SCHEMBL1907701 | 0.74 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL13387526 | 0.72 | MAPT (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL1907045 | 0.72 | SSTR3 (0.34) | — | |
| SCHEMBL13387617 | 0.69 | MAPK1 (0.36) | — | |
| SCHEMBL1907702 | 0.69 | MME (0.33) | — | |
| SCHEMBL1908029 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL13387759 | 0.66 | NQO2 (0.37) | — | |
| SCHEMBL1906671 | 0.65 | HDAC3 (0.38) | — | |
| SCHEMBL13256448 | 0.62 | CCNA2 (0.53) | — |
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-8481494-B2 | Compounds for the treatment of diseases related to protein misfolding | UNIVERSITAT DUISBURG-ESSEN (DE) | 2013-07-09 | — | — | US | disclosed |
| US-20120270795-A1 | COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING | UNIVERSITAT DUISBURG-ESSEN (DE) | 2012-10-25 | — | — | US | disclosed |
| EP-2493859-A1 | NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING | Universität Duisburg-Essen (DE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011050864-A1 | NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING | Universität Duisburg-Essen (DE) | 2011-05-05 | — | — | WO | disclosed |