⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25182557 | 0.93 | TSHR (0.48) | — | |
| SCHEMBL8676183 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL720874 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL8676180 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL25172397 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL8674147 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL25182578 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL25172453 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL8674143 | 0.91 | TSHR (0.47) | — | |
| SCHEMBL19895409 | 0.91 | TSHR (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023085299-A1 | CATIONIC LIPID | 武田薬品工業株式会社 | 2023-05-19 | — | — | WO | disclosed |
| CN-103814082-B | Thermoplastic resin composition and molded article formed from same | UNITIKA LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |
| EP-0570594-B1 | HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE | SHIONOGI & CO (JP) | 1997-07-30 | — | — | EP | disclosed |
| US-5534654-A | ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS | SHIONOGI & CO., LTD. (JP) | 1996-07-09 | — | — | US | disclosed |
| EP-0570594-A1 | HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE | SHIONOGI & CO., LTD. (JP) | 1993-11-24 | — | — | EP | disclosed |