⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23706644 | 0.84 | — | — | |
| SCHEMBL7499316 | 0.83 | — | — | |
| SCHEMBL7501843 | 0.81 | CYP2D6 (0.38) | — | |
| SCHEMBL5114071 | 0.80 | HTR3A (0.47) | — | |
| SCHEMBL6961670 | 0.78 | HTR3A (0.45) | — | |
| SCHEMBL16837182 | 0.72 | — | — | |
| SCHEMBL5786961 | 0.70 | — | — | |
| SCHEMBL20745640 | 0.70 | — | — | |
| SCHEMBL14745483 | 0.70 | — | — | |
| SCHEMBL4280 | 0.70 | SLC18A3 (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018205948-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-11-15 | — | — | WO | disclosed |
| CN-1774435-A | 5-membered heterocyclic derivative | DAIICHI SEIYAKU CO (JP) | 2006-05-17 | — | — | CN | disclosed |
| CN-1759110-A | Pyrazole derivatives | DAIICHI SEIYAKU CO (JP) | 2006-04-12 | — | — | CN | disclosed |