⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20611104 | 0.85 | — | — | |
| SCHEMBL17874213 | 0.76 | — | — | |
| SCHEMBL66407 | 0.73 | — | — | |
| SCHEMBL1633779 | 0.71 | — | — | |
| SCHEMBL22341177 | 0.71 | NOS3 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL27932780 | 0.70 | — | — | |
| Cyanide SCHEMBL28145153 | 0.69 | — | — | |
| SCHEMBL15247172 | 0.68 | — | — | |
| SCHEMBL13978786 | 0.67 | — | — | |
| SCHEMBL81083 | 0.67 | — | — |
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-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |