⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32663536 | 0.75 | DYRK1A (0.34) | — | |
| SCHEMBL26695951 | 0.75 | DYRK1A (0.34) | — | |
| SCHEMBL29540564 | 0.67 | FGFR1 (0.33) | — | |
| SCHEMBL29944780 | 0.65 | ADORA2A (0.40) | — | |
| SCHEMBL30865757 | 0.65 | AXL (0.32) | — | |
| SCHEMBL20548838 | 0.65 | JAK3 (0.49) | — | |
| SCHEMBL20548929 | 0.65 | JAK3 (0.49) | — | |
| SCHEMBL19098142 | 0.65 | JAK3 (0.49) | — | |
| SCHEMBL30882147 | 0.65 | JAK3 (0.49) | — | |
| SCHEMBL9101975 | 0.62 | PRKCI (0.41) | — |
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-10562904-B2 | Synthesis process of ruxolitinib | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2020-02-18 | — | — | US | disclosed |
| US-20190023712-A1 | SYNTHESIS PROCESS OF RUXOLITINIB | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2019-01-24 | — | — | US | disclosed |