⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9820301 | 0.63 | — | — | |
| SCHEMBL498033 | 0.62 | — | — | |
| SCHEMBL11105462 | 0.57 | — | — | |
| SCHEMBL7436595 | 0.56 | — | — | |
| SCHEMBL4371910 | 0.54 | — | — | |
| SCHEMBL9272453 | 0.54 | — | — | |
| SCHEMBL19297731 | 0.54 | — | — | |
| SCHEMBL447698 | 0.53 | — | — | |
| SCHEMBL18032691 | 0.53 | GSK3A (0.30) | — | |
| SCHEMBL9225826 | 0.53 | — | — |
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-2203219-A1 | SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS | Biota Europe Ltd (GB) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009040507-A1 | SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS | PROLYSIS LTD (GB) | 2009-04-02 | — | — | WO | disclosed |