⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1030323 | 1.00 | — | — | |
| SCHEMBL1030120 | 1.00 | — | — | |
| SCHEMBL1767147 | 0.78 | — | — | |
| SCHEMBL760396 | 0.75 | TP53 (0.30) | — | |
| SCHEMBL1032403 | 0.73 | — | — | |
| SCHEMBL8415754 | 0.73 | — | — | |
| SCHEMBL1032404 | 0.73 | — | — | |
| SCHEMBL1031675 | 0.73 | — | — | |
| SCHEMBL1031677 | 0.73 | — | — | |
| SCHEMBL276191 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008140810-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |
| EP-1028959-A1 | HERBICIDAL FURANYL- AND THIENYLOXYAZINES | AMERICAN CYANAMID COMPANY (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024427-A1 | HERBICIDAL FURANYL- AND THIENYLOXYAZINES | AMERICAN CYANAMID COMPANY (US) | 1999-05-20 | — | — | WO | disclosed |