⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23096761 | 0.77 | — | — | |
| SCHEMBL20107165 | 0.74 | — | — | |
| SCHEMBL13090953 | 0.69 | — | — | |
| SCHEMBL14420465 | 0.69 | — | — | |
| SCHEMBL19139924 | 0.67 | — | — | |
| SCHEMBL790849 | 0.65 | — | — | |
| SCHEMBL791275 | 0.65 | — | — | |
| SCHEMBL789850 | 0.65 | — | — | |
| SCHEMBL789851 | 0.65 | — | — | |
| SCHEMBL13709511 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115504980-A | Pyrimido nitrogen-containing six-membered aromatic heterocyclic compound and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2022-12-23 | — | — | CN | disclosed |
| EP-3070144-B1 | SEVEN-MEMBERED RING COMPOUNDS | IDEMITSU KOSAN CO (JP) | 2018-02-28 | — | — | EP | disclosed |