⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27353196 | 1.00 | — | — | |
| SCHEMBL13177711 | 1.00 | — | — | |
| SCHEMBL5831651 | 1.00 | — | — | |
| SCHEMBL10223167 | 1.00 | — | — | |
| SCHEMBL19910794 | 0.90 | CA1 (0.41) | — | |
| SCHEMBL8024788 | 0.90 | CA1 (0.41) | — | |
| SCHEMBL17676411 | 0.88 | FUCA1 (0.40) | — | |
| SCHEMBL1659784 | 0.82 | — | — | |
| SCHEMBL12963185 | 0.82 | — | — | |
| SCHEMBL13959547 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021071832-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |