⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439647 | 0.74 | — | — | |
| SCHEMBL27952255 | 0.73 | PIK3CB (0.41) | — | |
| SCHEMBL11582604 | 0.73 | — | — | |
| SCHEMBL20611026 | 0.73 | — | — | |
| SCHEMBL23128404 | 0.73 | — | — | |
| SCHEMBL25428969 | 0.73 | — | — | |
| SCHEMBL31227892 | 0.73 | — | — | |
| SCHEMBL1687064 | 0.72 | SLC6A2 (0.31) | — | |
| Iodide SCHEMBL29172953 | 0.71 | PIK3CB (0.40) | — | |
| Hydrochloric Acid SCHEMBL6853659 | 0.71 | PIK3CB (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130149283-A1 | METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS | UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) | 2013-06-13 | — | — | US | disclosed |
| US-4348518-A | Cephalosporins | HOFFMANN-LA ROCHE INC. (US) | 1982-09-07 | — | — | US | disclosed |
| US-4091211-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1978-05-23 | — | — | US | disclosed |