⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28059573 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27221546 | 0.77 | — | — | |
| SCHEMBL28899875 | 0.71 | — | — | |
| SCHEMBL24807418 | 0.68 | — | — | |
| SCHEMBL24302581 | 0.67 | — | — | |
| SCHEMBL24585253 | 0.67 | — | — | |
| SCHEMBL31322076 | 0.62 | — | — | |
| SCHEMBL22989500 | 0.62 | — | — | |
| SCHEMBL15944144 | 0.61 | — | — | |
| SCHEMBL23009128 | 0.61 | — | — |
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-2021027943-A1 | PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-02-18 | — | — | WO | disclosed |