⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL327466 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL27442692 | 0.84 | — | — | |
| Ethylene SCHEMBL27979981 | 0.81 | — | — | |
| Propane SCHEMBL28296196 | 0.79 | — | — | |
| Formamide SCHEMBL28870923 | 0.77 | — | — | |
| Piperazine SCHEMBL28097923 | 0.76 | KDM4E (0.31) | — | |
| Benzene SCHEMBL11850076 | 0.75 | TSHR (0.34) | — | |
| Formamide SCHEMBL22089896 | 0.71 | — | — | |
| Dimethylamine SCHEMBL11496697 | 0.71 | — | — | |
| Methylamine SCHEMBL27786636 | 0.71 | — | — |
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-114929681-A | Bicyclic CX3CR1 receptor agonists | 德州大学系统董事会 | 2022-08-19 | — | — | CN | disclosed |