⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL449688 | 0.94 | — | — | |
| SCHEMBL447017 | 0.92 | — | — | |
| SCHEMBL31757139 | 0.92 | — | — | |
| SCHEMBL29368982 | 0.92 | — | — | |
| SCHEMBL14265424 | 0.92 | — | — | |
| SCHEMBL188189 | 0.92 | — | — | |
| SCHEMBL3798229 | 0.92 | — | — | |
| SCHEMBL14265423 | 0.87 | — | — | |
| SCHEMBL20713901 | 0.86 | — | — | |
| SCHEMBL1882798 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2475667-A1 | INHIBITORS OF JAK | F. Hoffmann-La Roche AG (CH) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029804-A1 | INHIBITORS OF JAK | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-17 | — | — | WO | disclosed |
| EP-1021388-A1 | PHOSPHORYLATION PROCESS AND CATALYST | PERSTORP AB (SE) | 2000-07-26 | — | — | EP | disclosed |
| WO-1997034853-A1 | PHOSPHORYLATION PROCESS AND CATALYST | PERSTORP AB (SE) | 1997-09-25 | — | — | WO | disclosed |