⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9409218 | 0.71 | — | — | |
| SCHEMBL12413962 | 0.70 | — | — | |
| SCHEMBL16575632 | 0.68 | — | — | |
| SCHEMBL12779899 | 0.64 | LRRK2 (0.37) | — | |
| SCHEMBL29271904 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL5494790 | 0.62 | KAT2B (0.37) | — | |
| SCHEMBL7274718 | 0.62 | LMNA (0.41) | — | |
| SCHEMBL12779851 | 0.62 | — | — | |
| SCHEMBL6661385 | 0.61 | DHFR (0.33) | — | |
| SCHEMBL28270035 | 0.60 | ALDH1A1 (0.56) | — |
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-0584797-A2 | Novel cephalosporin compounds and processes for the preparation thereof | LUCKY LTD. (KR) | 1994-03-02 | — | — | EP | disclosed |