⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14823386 | 0.69 | — | — | |
| SCHEMBL256020 | 0.67 | — | — | |
| SCHEMBL17622963 | 0.63 | — | — | |
| SCHEMBL15601428 | 0.63 | — | — | |
| SCHEMBL17935520 | 0.61 | — | — | |
| SCHEMBL25014378 | 0.59 | — | — | |
| SCHEMBL19144077 | 0.59 | — | — | |
| SCHEMBL4146210 | 0.57 | — | — | |
| SCHEMBL21471556 | 0.56 | — | — | |
| SCHEMBL22799926 | 0.54 | — | — |
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-2021087112-A1 | CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE | BIOGEN MA INC. (US) | 2021-05-06 | — | — | WO | disclosed |