⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7964494 | 0.74 | — | — | |
| SCHEMBL11325094 | 0.74 | — | — | |
| SCHEMBL11326049 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL5729829 | 0.57 | — | — | |
| SCHEMBL4700478 | 0.56 | — | — | |
| SCHEMBL10552123 | 0.55 | — | — | |
| SCHEMBL144898 | 0.53 | — | — | |
| SCHEMBL27263785 | 0.53 | — | — | |
| SCHEMBL3195818 | 0.53 | — | — | |
| SCHEMBL8124140 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |
| US-4159984-A | METAL AND PROTON DONOR | SHIONOGI & CO., LTD. (JP) | 1979-07-03 | — | — | US | disclosed |