⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7689609 | 0.85 | HAO1 (0.52) | — | |
| SCHEMBL1701664 | 0.80 | CES2 (0.53) | — | |
| SCHEMBL7689140 | 0.78 | — | — | |
| SCHEMBL81438 | 0.78 | — | — | |
| SCHEMBL29053185 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL5667473 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL11434918 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL3126473 | 0.77 | CES2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL3418741 | 0.76 | HDAC3 (0.55) | — | |
| SCHEMBL28733107 | 0.76 | HDAC3 (0.55) | — |
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-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |