⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9920428 | 0.74 | — | — | |
| SCHEMBL9920402 | 0.69 | — | — | |
| SCHEMBL3986769 | 0.50 | HTT (0.49) | — | |
| SCHEMBL38652901 | 0.45 | — | — | |
| SCHEMBL12169901 | 0.37 | — | — | |
| SCHEMBL2281913 | 0.36 | — | — | |
| SCHEMBL22458993 | 0.36 | — | — | |
| SCHEMBL3265453 | 0.35 | — | — | |
| SCHEMBL20449610 | 0.35 | — | — | |
| SCHEMBL154932 | 0.34 | — | — |
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-20120149691-A1 | Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |