⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3618634 | 0.83 | — | — | |
| SCHEMBL8756570 | 0.77 | — | — | |
| SCHEMBL11455182 | 0.77 | — | — | |
| SCHEMBL27823767 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL154955 | 0.73 | — | — | |
| SCHEMBL24344517 | 0.72 | — | — | |
| Iodide SCHEMBL1835509 | 0.70 | TDP1 (0.31) | — | |
| Bromide SCHEMBL2534871 | 0.70 | TDP1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL17927325 | 0.70 | TDP1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2532415 | 0.70 | TDP1 (0.31) | — |
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-2021083345-A1 | PREPARATION METHOD FOR PYRAZOLOPYRIMIDINE COMPOUND AND INTERMEDIATE THEREOF | 先声药业有限公司 | 2021-05-06 | — | — | WO | disclosed |