⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77779 | 0.89 | — | — | |
| SCHEMBL27873682 | 0.85 | — | — | |
| SCHEMBL27506931 | 0.73 | MMP2 (0.41) | — | |
| Methylene Chloride SCHEMBL1458585 | 0.72 | — | — | |
| Methylene Chloride SCHEMBL5392269 | 0.71 | — | — | |
| Methylene Chloride SCHEMBL8707883 | 0.71 | — | — | |
| Methylene Chloride SCHEMBL27782673 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL9876 | 0.69 | — | — | |
| Acetone SCHEMBL6859109 | 0.68 | LMNA (0.60) | — | |
| Acetone SCHEMBL1244296 | 0.68 | LMNA (0.60) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117924146-A | Indole methyl guanidyl urea compound and preparation method and application thereof | 中国农业大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-116425696-A | Oxadiazole nitrobenzguanylurea compound and preparation method and application thereof | 中国农业大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-114249697-B | Nitrogen heterocyclic macrolide compound containing methyl guanidinyl urea as well as preparation method and application thereof | 中国农业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-114249697-A | Nitrogen heterocyclic macrolide compound containing methylguanidinyl urea and preparation method and application thereof | 中国农业大学 | 2022-03-29 | — | — | CN | disclosed |