⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8927773 | 0.93 | EPHX1 (0.48) | — | |
| SCHEMBL3804596 | 0.93 | EPHX1 (0.48) | — | |
| SCHEMBL13840828 | 0.91 | ADH1B (0.43) | — | |
| SCHEMBL12778663 | 0.85 | — | — | |
| SCHEMBL1675959 | 0.85 | ADH1B (0.31) | — | |
| SCHEMBL1675960 | 0.85 | ADH1B (0.31) | — | |
| SCHEMBL20334248 | 0.83 | EPHX1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL4186022 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4186024 | 0.82 | — | — | |
| SCHEMBL18965744 | 0.79 | ADH1B (0.60) | — |
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 |