⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902949 | 0.64 | — | — | |
| SCHEMBL3475574 | 0.58 | GSK3B (0.35) | — | |
| SCHEMBL3726275 | 0.53 | — | — | |
| SCHEMBL4751193 | 0.53 | — | — | |
| SCHEMBL1809747 | 0.53 | — | — | |
| SCHEMBL2044819 | 0.53 | — | — | |
| SCHEMBL2042594 | 0.52 | — | — | |
| SCHEMBL7617970 | 0.51 | MPO (0.41) | — | |
| SCHEMBL2043075 | 0.51 | — | — | |
| SCHEMBL6551950 | 0.49 | — | — |
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-20040152659-A1 | Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2004-08-05 | — | — | US | claimed |
| EP-1177797-A9 | NOVEL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-15 | — | — | EP | claimed |
| EP-1177797-A1 | NOVEL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-02-06 | — | — | EP | claimed |
| US-20040152659-A1 | Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2004-08-05 | — | — | US | disclosed |
| EP-1177797-A9 | NOVEL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-15 | — | — | EP | disclosed |
| EP-1177797-A1 | NOVEL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-02-06 | — | — | EP | disclosed |
| US-5998423-A | IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST | THERASYS, INC. (US) | 1999-12-07 | — | — | US | disclosed |