⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93277 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL28016880 | 0.95 | — | — | |
| SCHEMBL28070526 | 0.88 | — | — | |
| SCHEMBL28031541 | 0.88 | — | — | |
| SCHEMBL932207 | 0.88 | — | — | |
| SCHEMBL25396105 | 0.88 | — | — | |
| SCHEMBL22029311 | 0.86 | — | — | |
| SCHEMBL2282308 | 0.86 | — | — | |
| SCHEMBL5705659 | 0.86 | — | — | |
| SCHEMBL2282166 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632449-A | Preparation method of alpha-amino triethoxysilane | 山东大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-103374311-B | The making method of reactive anti-pricked tire sealant | ZHANG WEIDA (CN) | 2015-09-30 | — | — | CN | disclosed |