⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681681 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL3767081 | 0.76 | MAPT (0.41) | — | |
| SCHEMBL50791 | 0.69 | GAA (0.39) | — | |
| SCHEMBL9016437 | 0.67 | — | — | |
| SCHEMBL1814854 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL1814855 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL18860665 | 0.63 | — | — | |
| SCHEMBL93390 | 0.60 | — | — | |
| SCHEMBL1812394 | 0.59 | — | — | |
| SCHEMBL1114448 | 0.59 | ALDH1A1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100310471-A1 | ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES | Johannes Gutenberg-Universität Mainz (DE) | 2010-12-09 | — | — | US | disclosed |
| WO-2009027056-A2 | ANTIOXIDANT AND PARAMAGNETIC HEPARIN-NITROXIDE DERIVATIVES | JOHANNES GUTENBERG-UNIVERSITÄT MAINZ vertreten durch den Präsidenten (DE) | 2009-03-05 | — | — | WO | disclosed |
| EP-2030624-A1 | Antioxidant and paramagnetic heparin-nitroxide derivatives | Johannes Gutenberg Universität (DE) | 2009-03-04 | — | — | EP | disclosed |