⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28563329 | 0.86 | — | — | |
| SCHEMBL31326622 | 0.83 | — | — | |
| SCHEMBL707360 | 0.80 | — | — | |
| SCHEMBL5709220 | 0.77 | — | — | |
| SCHEMBL707612 | 0.76 | — | — | |
| Ethylenediamine SCHEMBL28994936 | 0.76 | DNM1 (0.33) | — | |
| SCHEMBL3135710 | 0.75 | DNM1 (0.42) | — | |
| SCHEMBL3300505 | 0.74 | — | — | |
| SCHEMBL2484305 | 0.73 | DNM1 (0.46) | — | |
| SCHEMBL9009720 | 0.72 | THRB (0.40) | — |
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-110139828-B | Multifunctional silicon nanoparticles, method for the production thereof and use thereof in electrochemiluminescence-based detection methods | 豪夫迈·罗氏有限公司 | 2021-05-28 | — | — | CN | disclosed |