⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9804168 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL18203525 | 0.66 | GGPS1 (0.30) | — | |
| SCHEMBL21404888 | 0.65 | — | — | |
| SCHEMBL4363626 | 0.65 | — | — | |
| SCHEMBL7633164 | 0.63 | — | — | |
| SCHEMBL11846630 | 0.62 | — | — | |
| SCHEMBL703876 | 0.61 | — | — | |
| SCHEMBL703187 | 0.61 | — | — | |
| SCHEMBL46525 | 0.60 | — | — | |
| SCHEMBL7484712 | 0.60 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115414382-B | Cascade amplification gas treatment platform and preparation method and application thereof | 南京邮电大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115414382-A | Cascade amplification gas treatment platform and preparation method and application thereof | 南京邮电大学 | 2022-12-02 | — | — | CN | disclosed |
| EP-1717278-A1 | Coated particles and coating compositions comprising coated particles | Nuplex Resins B.V. (NL) | 2006-11-02 | — | — | EP | disclosed |