⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29550077 | 0.72 | PIK3CA (0.34) | — | |
| SCHEMBL29550140 | 0.71 | PIM1 (0.30) | — | |
| SCHEMBL29549652 | 0.69 | PARP1 (0.36) | — | |
| SCHEMBL29550592 | 0.68 | FGFR1 (0.33) | — | |
| SCHEMBL29550524 | 0.65 | — | — | |
| SCHEMBL31360981 | 0.60 | MTOR (0.35) | — | |
| SCHEMBL29549849 | 0.60 | — | — | |
| SCHEMBL29549832 | 0.57 | ATM (0.35) | — | |
| SCHEMBL29549948 | 0.55 | — | — | |
| SCHEMBL9209624 | 0.55 | DPP4 (0.40) | — |
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-2022063303-A1 | A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2022-03-31 | — | — | WO | disclosed |