⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12174841 | 0.72 | ESR1 (0.31) | — | |
| SCHEMBL2183304 | 0.72 | — | — | |
| SCHEMBL3188614 | 0.72 | — | — | |
| SCHEMBL14257366 | 0.72 | — | — | |
| SCHEMBL8116575 | 0.72 | — | — | |
| SCHEMBL1472954 | 0.72 | DAO (0.63) | — | |
| SCHEMBL9421386 | 0.70 | — | — | |
| SCHEMBL1630492 | 0.70 | KDR (0.42) | — | |
| SCHEMBL15988677 | 0.69 | GSK3B (0.48) | — | |
| SCHEMBL16179813 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544705-A1 | DERIVATIVES OF MUPIROCIN | Beecham Group p.l.c. (GB) | 1993-06-09 | — | — | EP | disclosed |
| WO-1992002518-A1 | DERIVATIVES OF MUPIROCIN | BEECHAM GROUP PLC (GB) | 1992-02-20 | — | — | WO | disclosed |