⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20371774 | 1.00 | — | — | |
| SCHEMBL20371873 | 0.88 | JAK3 (0.39) | — | |
| SCHEMBL20371871 | 0.88 | JAK3 (0.39) | — | |
| SCHEMBL20359558 | 0.86 | BTK (0.37) | — | |
| SCHEMBL20359022 | 0.86 | BTK (0.37) | — | |
| SCHEMBL20359023 | 0.86 | BTK (0.37) | — | |
| SCHEMBL20371828 | 0.84 | BTK (0.43) | — | |
| SCHEMBL20358446 | 0.76 | BTK (0.59) | — | |
| SCHEMBL20358539 | 0.75 | JAK3 (0.42) | — | |
| SCHEMBL20359303 | 0.75 | JAK3 (0.42) | — |
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-20180194762-A1 | PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2018-07-12 | — | — | US | disclosed |