⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12861459 | 0.80 | — | — | |
| SCHEMBL9921762 | 0.77 | — | — | |
| SCHEMBL20306048 | 0.72 | NPSR1 (0.31) | — | |
| SCHEMBL9918353 | 0.72 | HSD11B1 (0.33) | — | |
| SCHEMBL12875978 | 0.71 | HRH2 (0.36) | — | |
| SCHEMBL9920200 | 0.71 | GRIN2D (0.42) | — | |
| SCHEMBL25509284 | 0.70 | NPSR1 (0.32) | — | |
| SCHEMBL12861263 | 0.70 | NPSR1 (0.42) | — | |
| SCHEMBL20724740 | 0.70 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL12861389 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149691-A1 | Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |