⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1777507 | 0.66 | XDH (0.51) | — | |
| SCHEMBL1775036 | 0.61 | ADORA2A (0.50) | — | |
| SCHEMBL1776355 | 0.53 | XDH (0.47) | — | |
| SCHEMBL8905863 | 0.53 | PNP (0.51) | — | |
| SCHEMBL14819849 | 0.49 | ALDH1A1 (0.42) | — | |
| SCHEMBL10421280 | 0.48 | PNP (0.79) | — | |
| SCHEMBL10775468 | 0.48 | PNP (0.56) | — | |
| SCHEMBL12786352 | 0.48 | PNP (0.60) | — | |
| SCHEMBL6268785 | 0.47 | PNP (0.55) | — | |
| SCHEMBL8445570 | 0.47 | PNP (0.76) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029598-A1 | 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS | Astra Zeneca AB (SE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007142576-A1 | 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |