⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20209454 | 0.86 | HSD11B1 (0.32) | — | |
| SCHEMBL1415458 | 0.85 | — | — | |
| SCHEMBL16840997 | 0.85 | — | — | |
| SCHEMBL20940143 | 0.82 | — | — | |
| SCHEMBL27287700 | 0.82 | — | — | |
| SCHEMBL23691264 | 0.82 | — | — | |
| SCHEMBL7844383 | 0.76 | MDM2 (0.38) | — | |
| SCHEMBL29131496 | 0.73 | JAK2 (0.37) | — | |
| SCHEMBL14349257 | 0.73 | — | — | |
| SCHEMBL23547603 | 0.73 | ATM (0.44) | — |
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 |