⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456034 | 0.67 | — | — | |
| SCHEMBL170833 | 0.65 | — | — | |
| SCHEMBL4472355 | 0.65 | — | — | |
| SCHEMBL4459321 | 0.65 | PDE8B (0.31) | — | |
| SCHEMBL4456038 | 0.63 | — | — | |
| SCHEMBL4464264 | 0.63 | — | — | |
| SCHEMBL1171761 | 0.61 | APP (0.32) | — | |
| SCHEMBL3348473 | 0.60 | HSP90AA1 (0.31) | — | |
| SCHEMBL1172351 | 0.60 | BACE1 (0.38) | — | |
| SCHEMBL25338891 | 0.60 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |