⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1415458 | 1.00 | — | — | |
| SCHEMBL16841007 | 0.85 | — | — | |
| SCHEMBL665282 | 0.76 | KDM1A (0.38) | — | |
| SCHEMBL1164553 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL1343696 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL530404 | 0.76 | KDM1A (0.38) | — | |
| SCHEMBL17458 | 0.76 | — | — | |
| SCHEMBL6618 | 0.76 | — | — | |
| SCHEMBL11525280 | 0.76 | KDM1A (0.38) | — | |
| SCHEMBL45941 | 0.76 | KDM4E (0.34) | — |
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-2015091584-A1 | THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-25 | — | — | WO | disclosed |