⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2219660 | 0.79 | — | — | |
| SCHEMBL5521944 | 0.67 | — | — | |
| SCHEMBL4731857 | 0.67 | — | — | |
| SCHEMBL1360690 | 0.65 | — | — | |
| SCHEMBL442784 | 0.65 | — | — | |
| SCHEMBL7060460 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL29265487 | 0.63 | — | — | |
| SCHEMBL6898415 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL1644232 | 0.63 | — | — | |
| SCHEMBL29265488 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2709997-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2016-06-29 | — | — | EP | disclosed |
| US-8729078-B2 | Inhibitors of bruton's tyrosine kinase | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| EP-2709997-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| US-20120295885-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN-LA ROCHE INC. | 2012-11-22 | — | — | US | disclosed |
| WO-2012156334-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |
| US-7601726-B2 | Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2009-10-13 | — | — | US | disclosed |
| US-20070054915-A1 | p38 MAP kinase inhibitors and methods for using the same | ROCHE PALO ALTO LLC | 2007-03-08 | — | — | US | disclosed |