⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7401160 | 1.00 | — | — | |
| SCHEMBL7306273 | 0.90 | — | — | |
| SCHEMBL7732165 | 0.87 | — | — | |
| SCHEMBL7397100 | 0.85 | ADORA2B (0.62) | — | |
| SCHEMBL7397099 | 0.85 | ADORA2B (0.62) | — | |
| SCHEMBL7722412 | 0.83 | ADORA2A (0.64) | — | |
| SCHEMBL7722409 | 0.83 | ADORA2A (0.64) | — | |
| SCHEMBL5142366 | 0.82 | — | — | |
| SCHEMBL5142368 | 0.82 | — | — | |
| SCHEMBL7310644 | 0.81 | ADORA2A (0.62) | — |
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 2 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 | 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 |