⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27532218 | 0.78 | — | — | |
| SCHEMBL27442304 | 0.75 | — | — | |
| SCHEMBL262994 | 0.64 | PYGM (0.35) | — | |
| SCHEMBL22812990 | 0.62 | GSK3B (0.32) | — | |
| SCHEMBL23908689 | 0.61 | — | — | |
| SCHEMBL23128287 | 0.60 | MEN1 (0.32) | — | |
| SCHEMBL19750859 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL27573487 | 0.59 | — | — | |
| SCHEMBL28198396 | 0.59 | — | — | |
| SCHEMBL27352700 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1058595-A | THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES | SHIONOGI & CO (JP) | 1992-02-12 | — | — | CN | disclosed |