⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13777711 | 0.92 | ADORA3 (0.34) | — | |
| SCHEMBL10146196 | 0.89 | ADORA3 (0.36) | — | |
| SCHEMBL3478695 | 0.86 | MEN1 (0.32) | — | |
| SCHEMBL3478694 | 0.85 | ADORA3 (0.37) | — | |
| SCHEMBL13777738 | 0.85 | ADORA3 (0.36) | — | |
| SCHEMBL3478710 | 0.85 | ADORA3 (0.36) | — | |
| SCHEMBL10146742 | 0.85 | ADORA3 (0.36) | — | |
| SCHEMBL3478723 | 0.85 | ADORA3 (0.36) | — | |
| SCHEMBL10146888 | 0.83 | ADORA3 (0.37) | — | |
| SCHEMBL13777762 | 0.83 | ADORA3 (0.35) | — |
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-20090170803-A1 | ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-07-02 | — | — | US | disclosed |