⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11690937 | 0.69 | — | — | |
| SCHEMBL3079741 | 0.65 | — | — | |
| SCHEMBL1292866 | 0.62 | — | — | |
| SCHEMBL6569452 | 0.60 | — | — | |
| SCHEMBL8311059 | 0.60 | — | — | |
| SCHEMBL2148358 | 0.60 | — | — | |
| SCHEMBL13894089 | 0.60 | — | — | |
| SCHEMBL5950718 | 0.60 | — | — | |
| SCHEMBL5950720 | 0.60 | — | — | |
| SCHEMBL28790446 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861405-A | A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-01-19 | — | — | US | claimed |
| WO-1994025462-A1 | 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1994-11-10 | — | — | WO | claimed |
| EP-0125106-B1 | 1-ACYLAMINO-1-CYCLOPENTANECARBOXYLIC ACIDS AND A PROCESS FOR PREPARING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1986-09-17 | — | — | EP | claimed |
| US-5861405-A | A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1994025462-A1 | 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1994-11-10 | — | — | WO | disclosed |