⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9464881 | 0.73 | — | — | |
| SCHEMBL1205841 | 0.73 | — | — | |
| SCHEMBL3046045 | 0.72 | — | — | |
| SCHEMBL28017122 | 0.71 | — | — | |
| SCHEMBL22904222 | 0.71 | — | — | |
| SCHEMBL24947698 | 0.71 | — | — | |
| SCHEMBL1531192 | 0.71 | — | — | |
| SCHEMBL1206509 | 0.70 | HPGD (0.56) | — | |
| SCHEMBL17520452 | 0.68 | — | — | |
| SCHEMBL24175355 | 0.68 | HCAR2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2603500-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | disclosed |