⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20532997 | 0.90 | — | — | |
| SCHEMBL20533374 | 0.90 | — | — | |
| SCHEMBL5310045 | 0.90 | — | — | |
| SCHEMBL16782376 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL3826761 | 0.80 | GPR119 (0.31) | — | |
| SCHEMBL3706337 | 0.79 | SYK (0.32) | — | |
| SCHEMBL15261197 | 0.75 | — | — | |
| SCHEMBL8996881 | 0.72 | — | — | |
| SCHEMBL2627320 | 0.71 | — | — | |
| SCHEMBL707231 | 0.70 | LRRK2 (0.31) | — |
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-0432042-A2 | Cephalosporin derivatives and their production and uses | MEIJI SEIKA KAISHA LTD. (JP) | 1991-06-12 | — | — | EP | disclosed |