⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953860 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL22322109 | 0.69 | CYP1A2 (0.38) | — | |
| SCHEMBL20568376 | 0.66 | HCAR2 (0.48) | — | |
| SCHEMBL23943006 | 0.66 | ESR1 (0.39) | — | |
| SCHEMBL24934571 | 0.64 | MAOA (0.45) | — | |
| SCHEMBL1041484 | 0.63 | — | — | |
| SCHEMBL13373553 | 0.62 | — | — | |
| SCHEMBL12500579 | 0.62 | — | — | |
| SCHEMBL14097075 | 0.61 | ALPL (0.52) | — | |
| SCHEMBL2293236 | 0.60 | — | — |
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-20170217902-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2017-08-03 | — | — | US | disclosed |