⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1416539 | 0.71 | — | — | |
| SCHEMBL16900657 | 0.67 | — | — | |
| SCHEMBL5919307 | 0.67 | — | — | |
| SCHEMBL5110251 | 0.64 | — | — | |
| SCHEMBL17154346 | 0.62 | — | — | |
| SCHEMBL18814684 | 0.61 | — | — | |
| SCHEMBL20427583 | 0.61 | — | — | |
| SCHEMBL18556460 | 0.61 | — | — | |
| SCHEMBL14279743 | 0.58 | — | — | |
| SCHEMBL18937493 | 0.58 | — | — |
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-2015039612-A1 | COMPOUND INHIBITING KINASE ACTIVITIES OF BTK AND/OR JAK3 | 北京韩美药品有限公司 | 2015-03-26 | — | — | WO | disclosed |