⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL606668 | 0.96 | — | — | |
| SCHEMBL605035 | 0.93 | — | — | |
| SCHEMBL29390792 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL105009 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL1578024 | 0.93 | — | — | |
| SCHEMBL11507080 | 0.89 | — | — | |
| SCHEMBL28712015 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL18650288 | 0.86 | — | — | |
| SCHEMBL3262072 | 0.81 | — | — | |
| N,N'-Dinitrosopiperazine SCHEMBL2353649 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119534675-A | Derivatization quantitative method for nitrogen nitroso compound and application thereof | 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) | 2025-02-28 | — | — | CN | disclosed |