⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27717869 | 0.77 | NLRP3 (0.32) | — | |
| SCHEMBL28694069 | 0.72 | — | — | |
| SCHEMBL28312700 | 0.72 | — | — | |
| SCHEMBL3938270 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL5462398 | 0.70 | — | — | |
| SCHEMBL2769491 | 0.70 | RECQL (0.32) | — | |
| SCHEMBL18176764 | 0.70 | — | — | |
| SCHEMBL2937219 | 0.70 | RECQL (0.32) | — | |
| SCHEMBL11776187 | 0.67 | CA1 (0.34) | — | |
| SCHEMBL18176774 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0092830-A2 | Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application | CIBA-GEIGY AG (CH) | 1983-11-02 | — | — | EP | disclosed |