⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19518933 | 0.85 | — | — | |
| SCHEMBL12319363 | 0.85 | — | — | |
| SCHEMBL7195584 | 0.85 | — | — | |
| SCHEMBL7197979 | 0.85 | — | — | |
| SCHEMBL1449231 | 0.83 | — | — | |
| SCHEMBL7195527 | 0.81 | — | — | |
| SCHEMBL7191317 | 0.78 | — | — | |
| SCHEMBL7199510 | 0.76 | — | — | |
| SCHEMBL12823936 | 0.73 | — | — | |
| SCHEMBL7195734 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003106445-A1 | COMPOUNDS AND METHODS FOR CONTROLLING BACTERIAL VIRULENCE | QSI PHARMA A/S (DK) | 2003-12-24 | — | — | WO | disclosed |