⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27531674 | 0.94 | — | — | |
| Fluoride SCHEMBL27762956 | 0.88 | — | — | |
| SCHEMBL3457682 | 0.88 | — | — | |
| SCHEMBL1774051 | 0.87 | — | — | |
| Fluoride SCHEMBL9437925 | 0.87 | — | — | |
| Fluoride SCHEMBL7567635 | 0.87 | — | — | |
| SCHEMBL134828 | 0.87 | — | — | |
| Fluoride SCHEMBL28813892 | 0.87 | — | — | |
| SCHEMBL976742 | 0.87 | — | — | |
| Fluoride SCHEMBL5324478 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108743404-B | Self-adhesive resin cement composition for dentistry and preparation method thereof | 吉林省登泰克牙科材料有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-108743404-B | Self-adhesive resin cement composition for dentistry and preparation method thereof | 吉林省登泰克牙科材料有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-104853693-A | Three-dimensional fabricating material systems for producing dental products | DENTSPLY INT INC | 2015-08-19 | — | — | CN | disclosed |