⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28504153 | 1.00 | — | — | |
| SCHEMBL28514843 | 0.74 | L3MBTL1 (0.47) | — | |
| SCHEMBL28514844 | 0.74 | L3MBTL1 (0.47) | — | |
| SCHEMBL28267646 | 0.73 | — | — | |
| SCHEMBL28267648 | 0.73 | — | — | |
| SCHEMBL28920060 | 0.68 | — | — | |
| SCHEMBL28536133 | 0.67 | KCNA3 (0.30) | — | |
| SCHEMBL28811244 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL31216297 | 0.64 | TSHR (0.46) | — | |
| SCHEMBL4306865 | 0.63 | SIGMAR1 (0.58) | — |
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-109111333-B | Chiral gem-disilyl alkane compound and synthesis method and application thereof | 浙江大学 | 2021-01-08 | — | — | CN | disclosed |