⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13001655 | 0.83 | — | — | |
| SCHEMBL19347183 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL10177686 | 0.66 | — | — | |
| SCHEMBL21300683 | 0.64 | — | — | |
| SCHEMBL11580679 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL22415239 | 0.63 | — | — | |
| SCHEMBL11580681 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL19058372 | 0.63 | — | — | |
| Carbon Monoxide SCHEMBL6517294 | 0.57 | — | — | |
| SCHEMBL18520077 | 0.56 | — | — |
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-2017198050-A1 | 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF | 浙江予川医药科技有限公司 | 2017-11-23 | — | — | WO | disclosed |