⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4045334 | 0.88 | — | — | |
| SCHEMBL7386766 | 0.84 | ADH1C (0.30) | — | |
| SCHEMBL7391165 | 0.84 | ADH1C (0.30) | — | |
| SCHEMBL4502028 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL21293786 | 0.78 | — | — | |
| SCHEMBL9563418 | 0.78 | — | — | |
| SCHEMBL567668 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL5156789 | 0.78 | — | — | |
| SCHEMBL447191 | 0.78 | — | — | |
| SCHEMBL6209232 | 0.77 | ADH1C (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003057161-A2 | BENZOTHIENO [3,2-c]PYRAZOLYL AND BENZOFURANO [3,2-c] PYRAZOLYL COMPOUNDS, THEIR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR AND INTERMEDIATE COMPOUNDS THEREOF | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-17 | — | — | WO | disclosed |