⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11579680 | 0.78 | — | — | |
| SCHEMBL10869973 | 0.76 | — | — | |
| SCHEMBL28529559 | 0.71 | — | — | |
| SCHEMBL28961855 | 0.69 | — | — | |
| Methane SCHEMBL9414714 | 0.69 | — | — | |
| SCHEMBL28452567 | 0.68 | — | — | |
| SCHEMBL28442953 | 0.68 | — | — | |
| Potassium Ion SCHEMBL9773572 | 0.67 | — | — | |
| SCHEMBL6788568 | 0.67 | — | — | |
| SCHEMBL9774859 | 0.67 | — | — |
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-112552334-A | Preparation method of hexamethylcyclotrisilazane | 江西贝特利新材料有限公司 | 2021-03-26 | — | — | CN | disclosed |