⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1917338 | 0.80 | — | — | |
| SCHEMBL9820299 | 0.63 | — | — | |
| SCHEMBL1274829 | 0.57 | — | — | |
| SCHEMBL1918212 | 0.56 | — | — | |
| SCHEMBL4839990 | 0.56 | — | — | |
| SCHEMBL2357161 | 0.54 | — | — | |
| SCHEMBL9051617 | 0.54 | — | — | |
| SCHEMBL1835607 | 0.54 | — | — | |
| SCHEMBL31021701 | 0.54 | GSK3A (0.30) | — | |
| SCHEMBL2020205 | 0.53 | — | — |
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-2004078115-A2 | BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES | VIROPHARMA, INCORPORATED (US) | 2004-09-16 | — | — | WO | disclosed |