⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18602332 | 0.79 | — | — | |
| SCHEMBL2473684 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL2473687 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL11511223 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL11509559 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL11509556 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL22930882 | 0.67 | — | — | |
| SCHEMBL19062612 | 0.67 | — | — | |
| SCHEMBL17676837 | 0.67 | — | — | |
| SCHEMBL18632229 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2455382-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2012-05-23 | — | — | EP | disclosed |