⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1403754 | 0.78 | — | — | |
| SCHEMBL589943 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL9810522 | 0.77 | TP53 (0.44) | — | |
| SCHEMBL41377 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL918050 | 0.75 | OR51E2 (0.40) | — | |
| SCHEMBL11358490 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL339617 | 0.74 | TSHR (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2420015 | 0.74 | TSHR (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL246433 | 0.74 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL1781117 | 0.70 | — | — |
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 |