⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13077137 | 1.00 | — | — | |
| SCHEMBL3741967 | 0.81 | MAPK1 (0.33) | — | |
| SCHEMBL3741969 | 0.81 | MAPK1 (0.33) | — | |
| SCHEMBL12745739 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL12826667 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL18658564 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL18658551 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL18658561 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL14401453 | 0.75 | MGAM (0.39) | — | |
| SCHEMBL22509813 | 0.75 | MGAM (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7825126-B2 | Purine derivatives as A3 and A1 adenosine receptor agonists | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-11-02 | — | — | US | disclosed |