⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11621700 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL1764815 | 0.76 | MLYCD (0.38) | — | |
| SCHEMBL3725299 | 0.74 | — | — | |
| SCHEMBL731386 | 0.74 | — | — | |
| SCHEMBL3465520 | 0.73 | — | — | |
| SCHEMBL11364440 | 0.73 | MLYCD (0.39) | — | |
| SCHEMBL28818017 | 0.72 | — | — | |
| SCHEMBL10979993 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL7853406 | 0.71 | TSHR (0.52) | — | |
| SCHEMBL1871230 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236951-B2 | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2012-08-07 | — | — | US | disclosed |
| EP-2332541-A1 | Use of thioxanthine derivatives as MPO inhibitors | AstraZeneca AB (SE) | 2011-06-15 | — | — | EP | disclosed |
| US-20080293748-A1 | Thioxanthine Derivatives as Myeloperoxidase Inhibitors | ASTRAZENECA AB (SE) | 2008-11-27 | — | — | US | disclosed |
| US-7425560-B2 | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2008-09-16 | — | — | US | disclosed |
| US-20050234036-A1 | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2005-10-20 | — | — | US | disclosed |
| EP-1499613-A1 | THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS | AstraZeneca AB (SE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089430-A1 | THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS | ASTRAZENECA AB (SE) | 2003-10-30 | — | — | WO | disclosed |