⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL688876 | 0.74 | — | — | |
| SCHEMBL23239882 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL1119930 | 0.72 | — | — | |
| SCHEMBL24975669 | 0.70 | — | — | |
| SCHEMBL9625721 | 0.70 | — | — | |
| SCHEMBL19599783 | 0.68 | — | — | |
| SCHEMBL5582045 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6421988 | 0.66 | BRD4 (0.44) | — | |
| SCHEMBL15133674 | 0.64 | FYN (0.34) | — | |
| SCHEMBL24737753 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017124657-A1 | BRUTON'S TYROSINE KINASE INHIBITOR HAVING SPIRAL OR BRIDGED RING STRUCTURE AND PREPARATION METHOD THEREOF | 成都倍特药业有限公司 | 2017-07-27 | — | — | WO | disclosed |