⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28128623 | 0.79 | NFKB1 (0.35) | — | |
| SCHEMBL6407045 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL15564 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL11360303 | 0.77 | CRBN (0.35) | — | |
| SCHEMBL27273557 | 0.76 | — | — | |
| SCHEMBL2162258 | 0.76 | — | — | |
| SCHEMBL28826412 | 0.72 | TRPA1 (0.35) | — | |
| SCHEMBL27656928 | 0.72 | — | — | |
| SCHEMBL2885692 | 0.72 | — | — | |
| SCHEMBL432847 | 0.68 | — | — |
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-109589270-A | The preparation method of the dental material of light transmittance and color gradient and its product of preparation | 辽宁爱尔创生物材料有限公司 | 2019-04-09 | — | — | CN | disclosed |