⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3476 | 0.69 | — | — | |
| SCHEMBL27943308 | 0.67 | — | — | |
| SCHEMBL5049308 | 0.65 | — | — | |
| SCHEMBL5682495 | 0.64 | — | — | |
| SCHEMBL691134 | 0.59 | — | — | |
| SCHEMBL7147142 | 0.55 | — | — | |
| SCHEMBL4397940 | 0.54 | — | — | |
| SCHEMBL7530220 | 0.54 | — | — | |
| SCHEMBL1563047 | 0.54 | — | — | |
| SCHEMBL2077526 | 0.54 | — | — |
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-109803629-A | Dental composition | 登特斯普伊德特雷有限公司 | 2019-05-24 | — | — | CN | disclosed |