⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921684 | 0.91 | CTSK (0.42) | — | |
| SCHEMBL9921746 | 0.91 | CTSK (0.42) | — | |
| SCHEMBL9921706 | 0.86 | PIK3CD (0.36) | — | |
| SCHEMBL9918257 | 0.77 | CTSK (0.33) | — | |
| SCHEMBL9921960 | 0.76 | CPN1 (0.42) | — | |
| SCHEMBL1345692 | 0.76 | — | — | |
| Methylamine SCHEMBL27815959 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL17141362 | 0.71 | — | — | |
| SCHEMBL24517835 | 0.71 | — | — | |
| SCHEMBL28162203 | 0.70 | — | — |
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 |