⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4885541 | 0.78 | — | — | |
| SCHEMBL30968115 | 0.72 | — | — | |
| SCHEMBL30967997 | 0.65 | CHRM2 (0.40) | — | |
| SCHEMBL17751196 | 0.61 | — | — | |
| SCHEMBL19512448 | 0.59 | — | — | |
| SCHEMBL15337296 | 0.59 | — | — | |
| SCHEMBL15320673 | 0.59 | — | — | |
| SCHEMBL18501227 | 0.59 | — | — | |
| SCHEMBL14423326 | 0.58 | — | — | |
| SCHEMBL24337133 | 0.57 | — | — |
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-11739103-B2 | Processes for preparing a pan-JAK inhibitor and related intermediate compounds | Theravance Biopharma R&D LP, LLC (US) | 2023-08-29 | — | — | US | disclosed |
| US-20220112219-A1 | PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS | THERAVANCE BIOPHARMA R&D IP, LLC | 2022-04-14 | — | — | US | disclosed |