⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194656 | 1.00 | — | — | |
| SCHEMBL8706235 | 1.00 | — | — | |
| SCHEMBL7278065 | 0.89 | KDM4E (0.64) | — | |
| SCHEMBL8706546 | 0.88 | — | — | |
| SCHEMBL8705567 | 0.88 | — | — | |
| SCHEMBL8705846 | 0.88 | — | — | |
| SCHEMBL27334810 | 0.87 | — | — | |
| SCHEMBL27334811 | 0.87 | — | — | |
| SCHEMBL27334809 | 0.87 | — | — | |
| SCHEMBL7268434 | 0.83 | ADORA2A (0.68) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5840729-A | ATTENUATING COGNITIVE DEFICIT | MERRELL PHARMACEUTICALS INC. (US) | 1998-11-24 | — | — | US | claimed |
| EP-0686155-B1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-07-29 | — | — | EP | claimed |
| CN-1118599-A | Xanthine derivatives as adenosine A1 receptor antagonists | MERRELL DOW PHARMA (US) | 1996-03-13 | — | — | CN | claimed |
| EP-0686155-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-12-13 | — | — | EP | claimed |
| WO-1994019349-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | claimed |
| CN-1041418-C | Xanthine derivatives as adenosine A1 receptor antagonists | MERRELL DOW PHARMA (US) | 1998-12-30 | — | — | CN | disclosed |
| US-5840729-A | ATTENUATING COGNITIVE DEFICIT | MERRELL PHARMACEUTICALS INC. (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0686155-B1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0449175-B1 | Selective adenosine receptor agents | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0686155-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019349-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | disclosed |