⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4333859 | 0.75 | TDP1 (0.56) | — | |
| SCHEMBL425943 | 0.75 | TDP1 (0.56) | — | |
| SCHEMBL267249 | 0.73 | — | — | |
| SCHEMBL5075221 | 0.73 | — | — | |
| SCHEMBL15315157 | 0.72 | TDP1 (0.45) | — | |
| SCHEMBL13741390 | 0.71 | — | — | |
| SCHEMBL20577397 | 0.71 | — | — | |
| SCHEMBL5986397 | 0.71 | — | — | |
| SCHEMBL1887087 | 0.69 | — | — | |
| SCHEMBL2357325 | 0.69 | TDP1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778591-A1 | METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2021-02-17 | — | — | EP | disclosed |