⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1697130 | 0.72 | GMNN (0.37) | — | |
| SCHEMBL8340557 | 0.59 | CYP19A1 (0.32) | — | |
| SCHEMBL2138759 | 0.57 | — | — | |
| SCHEMBL4409585 | 0.57 | GSK3A (0.32) | — | |
| SCHEMBL16489255 | 0.54 | — | — | |
| SCHEMBL735080 | 0.53 | — | — | |
| SCHEMBL8668451 | 0.52 | — | — | |
| SCHEMBL5318896 | 0.52 | — | — | |
| SCHEMBL9926467 | 0.51 | KMT2A (0.35) | — | |
| SCHEMBL4426582 | 0.51 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799221-A1 | METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1789053-A2 | METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1685132-A1 | A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2006044610-A1 | METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2006028810-A2 | METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-03-16 | — | — | WO | disclosed |
| EP-1622908-A1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2005051951-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2004106337-A1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2004-12-09 | — | — | WO | disclosed |
| EP-1444233-A2 | A 2B? ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003042214-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2003-05-22 | — | — | WO | disclosed |