⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28991757 | 0.85 | — | — | |
| SCHEMBL6535889 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL6534614 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL8616060 | 0.76 | TSHR (0.41) | — | |
| Carbamic Acid SCHEMBL30831180 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL9723363 | 0.70 | — | — | |
| SCHEMBL7753387 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL3381265 | 0.69 | — | — | |
| SCHEMBL2013862 | 0.68 | TSHR (0.54) | — | |
| SCHEMBL28795510 | 0.68 | TSHR (0.37) | — |
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-117677664-A | Thermoplastic polyurethane-containing composition | 布拉斯科有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-116829018-A | Polyethylene copolymer and terpolymer for shoes and preparation method thereof | 布拉斯科有限公司 | 2023-09-29 | — | — | CN | disclosed |