⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18854332 | 1.00 | — | — | |
| SCHEMBL470587 | 0.80 | — | — | |
| SCHEMBL641513 | 0.80 | — | — | |
| SCHEMBL12002635 | 0.74 | CYP2D6 (0.38) | — | |
| SCHEMBL12002636 | 0.74 | CYP2D6 (0.38) | — | |
| SCHEMBL25894319 | 0.72 | HSD17B10 (0.39) | — | |
| SCHEMBL13732301 | 0.71 | — | — | |
| SCHEMBL19262025 | 0.71 | — | — | |
| SCHEMBL13732300 | 0.71 | — | — | |
| SCHEMBL23902476 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1090019-B1 | ADENOSINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-09-29 | — | — | EP | disclosed |
| EP-1447407-A1 | Adenosine derivatives | GLAXO GROUP LIMITED (GB) | 2004-08-18 | — | — | EP | disclosed |
| US-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |
| US-20030096788-A1 | Adenosine derivatives | GLAXO WELLCOME INC. | 2003-05-22 | — | — | US | disclosed |
| US-6492348-B1 | Adenosine derivatives | SMITHKLINE BEECHAM CORPORATION | 2002-12-10 | — | — | US | disclosed |
| EP-1090019-A1 | ADENOSINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067262-A1 | ADENOSINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-29 | — | — | WO | disclosed |