⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5435530 | 0.98 | — | — | |
| SCHEMBL5445002 | 0.95 | — | — | |
| SCHEMBL5683029 | 0.90 | — | — | |
| SCHEMBL10536751 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL5441117 | 0.86 | — | — | |
| SCHEMBL5439428 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL5433844 | 0.81 | — | — | |
| SCHEMBL5683051 | 0.81 | — | — | |
| SCHEMBL10955085 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL5436735 | 0.81 | TSHR (0.33) | — |
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-20070004825-A1 | Reactive diluents | THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) | 2007-01-04 | — | — | US | disclosed |
| EP-1620443-A2 | REACTIVE DILUENTS | The University of Southern Mississippi Research Foundation (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099221-A2 | REACTIVE DILUENTS | THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) | 2004-11-18 | — | — | WO | disclosed |