⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4513349 | 0.82 | GABBR2 (0.39) | — | |
| SCHEMBL4519135 | 0.80 | — | — | |
| SCHEMBL537197 | 0.69 | — | — | |
| SCHEMBL4532052 | 0.69 | — | — | |
| SCHEMBL31294265 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL838326 | 0.67 | — | — | |
| SCHEMBL56703 | 0.67 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4863550 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9339671 | 0.66 | — | — | |
| SCHEMBL366667 | 0.65 | ALDH1A1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273726-B2 | Compositions for treating and/or preventing diseases characterized by the presence of metal ions | BRANDEIS UNIVERSITY (US) | 2012-09-25 | — | — | US | disclosed |
| US-20100184724-A1 | COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS | GRENPHARMA LLC (US) | 2010-07-22 | — | — | US | disclosed |
| US-7595308-B2 | Treatment and/or prevention of Alzheimer's disease, other neurodegenerative diseases, and/or diseases characterized by the presence of certain metal ions, by using organosilicon compounds such as dichlorodiethylsilane | GRENPHARMA LLC (US) | 2009-09-29 | — | — | US | disclosed |
| US-20090203644-A1 | Compositions for treating and/or preventing diseases characterized by the presence of metal ions | GRENPHARMA LLC (US) | 2009-08-13 | — | — | US | disclosed |
| US-7507480-B2 | Corrosion-resistant metal surfaces | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2009-03-24 | — | — | US | disclosed |
| US-20060269760-A1 | Corrosion-resistant metal surfaces | ENERGY, UNITED STATES DEPARTMENT OF | 2006-11-30 | — | — | US | disclosed |