⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4314716 | 0.67 | — | — | |
| SCHEMBL17656572 | 0.66 | KDM4E (0.40) | — | |
| SCHEMBL7521997 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL8117344 | 0.62 | — | — | |
| SCHEMBL13134064 | 0.62 | — | — | |
| SCHEMBL4765510 | 0.62 | — | — | |
| SCHEMBL17760163 | 0.62 | — | — | |
| SCHEMBL1117824 | 0.61 | HCAR2 (0.30) | — | |
| SCHEMBL3402298 | 0.61 | — | — | |
| SCHEMBL9602590 | 0.61 | — | — |
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-1309565-A1 | HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002012199-A1 | HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-02-14 | — | — | WO | disclosed |