⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1020575 | 0.72 | TLR4 (0.34) | — | |
| SCHEMBL19122643 | 0.68 | PLA2G7 (0.30) | — | |
| SCHEMBL10065841 | 0.66 | — | — | |
| SCHEMBL9609518 | 0.65 | MAPT (0.36) | — | |
| SCHEMBL21955625 | 0.61 | — | — | |
| SCHEMBL918758 | 0.61 | PIK3CD (0.31) | — | |
| SCHEMBL19493635 | 0.60 | — | — | |
| SCHEMBL22350963 | 0.60 | — | — | |
| SCHEMBL8973091 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8459480 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462611-B2 | inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one | ANADYS PHARMACEUTICALS, INC. (US) | 2008-12-09 | — | — | US | disclosed |