⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18959127 | 0.81 | EPHX1 (0.30) | — | |
| SCHEMBL18960362 | 0.79 | — | — | |
| SCHEMBL18959114 | 0.79 | — | — | |
| SCHEMBL15711192 | 0.79 | EGFR (0.36) | — | |
| SCHEMBL15711190 | 0.79 | EGFR (0.36) | — | |
| SCHEMBL19421183 | 0.77 | MEN1 (0.40) | — | |
| SCHEMBL18959154 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL19427232 | 0.72 | — | — | |
| SCHEMBL25766055 | 0.63 | RAB9A (0.30) | — | |
| SCHEMBL726326 | 0.61 | CD81 (0.30) | — |
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-2017100668-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-15 | — | — | WO | disclosed |