⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12885059 | 0.84 | GBA1 (0.36) | — | |
| SCHEMBL14388283 | 0.84 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL24192655 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL26726833 | 0.80 | NOS3 (0.33) | — | |
| SCHEMBL24941815 | 0.80 | PIK3CD (0.45) | — | |
| SCHEMBL13860753 | 0.78 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL10198502 | 0.75 | — | — | |
| SCHEMBL20063340 | 0.75 | JAK2 (0.33) | — | |
| SCHEMBL22388075 | 0.74 | PIK3CD (0.47) | — | |
| SCHEMBL14883743 | 0.73 | — | — |
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-10392368-B2 | Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-08-27 | — | — | US | disclosed |
| US-20190040043-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-02-07 | — | — | US | disclosed |