⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8154700 | 0.90 | — | — | |
| SCHEMBL8153740 | 0.77 | THRB (0.33) | — | |
| SCHEMBL16536943 | 0.73 | TSHR (0.49) | — | |
| SCHEMBL9705690 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL138700 | 0.71 | TSHR (0.54) | — | |
| SCHEMBL16537094 | 0.70 | TSHR (0.53) | — | |
| SCHEMBL28115699 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL3914586 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL21066706 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL16537215 | 0.69 | TSHR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708143-B1 | Polyvinyl chloride based resin composition and products derived therefrom | SEKISUI AMERICA CORP (US) | 2000-01-05 | — | — | EP | disclosed |
| EP-0708143-A1 | Polyvinyl chloride based resin composition and products derived therefrom | SEKISUI AMERICA CORPORATION (US) | 1996-04-24 | — | — | EP | disclosed |