⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2549391 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL7289249 | 0.73 | — | — | |
| SCHEMBL6073709 | 0.73 | — | — | |
| SCHEMBL20142199 | 0.73 | — | — | |
| SCHEMBL2220653 | 0.71 | — | — | |
| SCHEMBL6490935 | 0.69 | — | — | |
| SCHEMBL1926899 | 0.69 | — | — | |
| SCHEMBL1771381 | 0.67 | — | — | |
| SCHEMBL5040518 | 0.67 | — | — | |
| SCHEMBL310693 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668855-A1 | HERBICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019034757-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-02-21 | — | — | WO | disclosed |
| EP-1086076-A1 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065870-A2 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-23 | — | — | WO | disclosed |