⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1536629 | 0.78 | THRB (0.40) | — | |
| SCHEMBL18211364 | 0.78 | — | — | |
| SCHEMBL17789878 | 0.72 | — | — | |
| SCHEMBL27922920 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL27990640 | 0.69 | — | — | |
| SCHEMBL27754437 | 0.69 | THRB (0.32) | — | |
| SCHEMBL27923021 | 0.69 | — | — | |
| SCHEMBL3324387 | 0.68 | — | — | |
| SCHEMBL13821992 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL14996102 | 0.67 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943625-B2 | Myeloperoxidase inhibitors; neuroinflammatory disorders; COPD; 3-(2-Ethoxy-2-methylpropyl)-2-thioxanthine | ASTRAZENECA AB (SE) | 2011-05-17 | — | — | US | disclosed |
| US-20090131459-A1 | 2-Thioxanthine Derivatives Acting as MPO-Inhibitors | ASTRAZENECA AB (SE) | 2009-05-21 | — | — | US | disclosed |
| EP-2029598-A1 | 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS | Astra Zeneca AB (SE) | 2009-03-04 | — | — | EP | disclosed |
| US-20080221133-A1 | Compounds | ASTRAZENECA AB (SE) | 2008-09-11 | — | — | US | disclosed |
| WO-2007142576-A1 | 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |