⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1082005 | 0.75 | — | — | |
| SCHEMBL10258956 | 0.75 | — | — | |
| SCHEMBL31300186 | 0.73 | — | — | |
| SCHEMBL24786140 | 0.69 | — | — | |
| SCHEMBL465616 | 0.69 | — | — | |
| SCHEMBL1584322 | 0.69 | — | — | |
| SCHEMBL11814651 | 0.69 | — | — | |
| Acetic Acid SCHEMBL8893677 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL14406988 | 0.69 | — | — | |
| Oxalic Acid SCHEMBL28901837 | 0.67 | LMNA (0.47) | — |
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-0190900-A2 | Cephalosporin compounds, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1986-08-13 | — | — | EP | disclosed |