⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1159824 | 1.00 | — | — | |
| SCHEMBL1159822 | 1.00 | — | — | |
| SCHEMBL1160419 | 0.86 | BRD4 (0.31) | — | |
| SCHEMBL1160047 | 0.86 | BRD4 (0.31) | — | |
| SCHEMBL12904164 | 0.86 | BRD4 (0.31) | — | |
| SCHEMBL908971 | 0.77 | AURKA (0.44) | — | |
| SCHEMBL12904150 | 0.72 | JAK1 (0.51) | — | |
| SCHEMBL908878 | 0.72 | JAK1 (0.51) | — | |
| SCHEMBL909071 | 0.72 | JAK1 (0.51) | — | |
| SCHEMBL1160321 | 0.71 | BRD4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2459566-A1 | TRICYCLIC INHIBITORS OF JAK | F. Hoffmann-La Roche AG (CH) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011012540-A1 | TRICYCLIC INHIBITORS OF JAK | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-03 | — | — | WO | disclosed |