⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9065292 | 0.79 | MGAM (0.38) | — | |
| SCHEMBL5074468 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL11601735 | 0.79 | LMNA (0.41) | — | |
| SCHEMBL589942 | 0.79 | — | — | |
| SCHEMBL7233887 | 0.77 | — | — | |
| SCHEMBL963289 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL1171171 | 0.77 | — | — | |
| SCHEMBL110269 | 0.77 | — | — | |
| SCHEMBL11586771 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL10875233 | 0.75 | MMP1 (0.54) | — |
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-1034504-C | Thioalkylthio cephalosporin derivatives | SHIONOGI & CO (JP) | 1997-04-09 | — | — | CN | disclosed |