⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3318995 | 1.00 | — | — | |
| SCHEMBL3317444 | 0.74 | — | — | |
| SCHEMBL3316326 | 0.74 | — | — | |
| SCHEMBL3318196 | 0.74 | — | — | |
| SCHEMBL21827875 | 0.69 | — | — | |
| SCHEMBL21828031 | 0.69 | — | — | |
| SCHEMBL19458991 | 0.67 | — | — | |
| SCHEMBL2043571 | 0.67 | — | — | |
| SCHEMBL2046653 | 0.67 | — | — | |
| SCHEMBL19329735 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018103058-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-14 | — | — | WO | disclosed |
| US-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2041141-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008006883-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2008-01-17 | — | — | WO | disclosed |