⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11249111 | 0.79 | — | — | |
| SCHEMBL13866433 | 0.69 | — | — | |
| SCHEMBL14671382 | 0.69 | — | — | |
| SCHEMBL23090184 | 0.69 | — | — | |
| SCHEMBL26707614 | 0.68 | — | — | |
| SCHEMBL15315743 | 0.68 | — | — | |
| SCHEMBL15315742 | 0.68 | — | — | |
| SCHEMBL530404 | 0.63 | KDM1A (0.38) | — | |
| SCHEMBL17458 | 0.63 | — | — | |
| SCHEMBL665282 | 0.63 | KDM1A (0.38) | — |
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-2019174607-A1 | DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海艾力斯医药科技有限公司 | 2019-09-19 | — | — | WO | disclosed |