⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8705440 | 0.91 | — | — | |
| SCHEMBL8705419 | 0.90 | — | — | |
| SCHEMBL8710477 | 0.88 | — | — | |
| SCHEMBL194851 | 0.85 | KDM4E (0.63) | — | |
| SCHEMBL8706990 | 0.85 | KDM4E (0.63) | — | |
| SCHEMBL721663 | 0.85 | KDM4E (0.63) | — | |
| SCHEMBL8710474 | 0.81 | — | — | |
| SCHEMBL8705712 | 0.80 | ADORA1 (0.60) | — | |
| SCHEMBL7278065 | 0.79 | KDM4E (0.64) | — | |
| SCHEMBL8705567 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0686155-B1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-07-29 | — | — | EP | claimed |
| EP-0449175-B1 | Selective adenosine receptor agents | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | claimed |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | claimed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | 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-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 |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | disclosed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | disclosed |