⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17607696 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL6552535 | 0.76 | — | — | |
| SCHEMBL5985475 | 0.74 | — | — | |
| SCHEMBL17607481 | 0.72 | METAP1 (0.33) | — | |
| SCHEMBL56440 | 0.69 | — | — | |
| SCHEMBL9170832 | 0.69 | — | — | |
| SCHEMBL5985870 | 0.67 | — | — | |
| SCHEMBL229604 | 0.67 | — | — | |
| SCHEMBL4655194 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL6552235 | 0.65 | — | — |
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-113416208-A | Eugenol bio-based silicon-containing oxetane monomer and preparation method thereof | 湖北固润科技股份有限公司 | 2021-09-21 | — | — | CN | disclosed |