⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918882 | 0.80 | OGA (0.35) | — | |
| SCHEMBL9920176 | 0.75 | PANK3 (0.37) | — | |
| SCHEMBL9918350 | 0.75 | — | — | |
| SCHEMBL9918355 | 0.70 | HRH3 (0.37) | — | |
| SCHEMBL9918348 | 0.66 | GRM5 (0.33) | — | |
| SCHEMBL9918884 | 0.66 | GRM5 (0.33) | — | |
| SCHEMBL9920174 | 0.66 | KDM4E (0.46) | — | |
| SCHEMBL9920486 | 0.66 | KDM4E (0.46) | — | |
| SCHEMBL12988802 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL9918357 | 0.64 | MAPT (0.52) | — |
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-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |