⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13646601 | 1.00 | — | — | |
| SCHEMBL10031638 | 1.00 | — | — | |
| SCHEMBL14197055 | 1.00 | — | — | |
| SCHEMBL14197053 | 1.00 | — | — | |
| SCHEMBL13934711 | 1.00 | — | — | |
| SCHEMBL11953022 | 1.00 | — | — | |
| SCHEMBL10031640 | 1.00 | — | — | |
| SCHEMBL12871502 | 0.91 | — | — | |
| SCHEMBL13231962 | 0.88 | — | — | |
| SCHEMBL18132866 | 0.87 | — | — |
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-9045516-B2 | Synthetic ligands for the differentiation of closely related toxins and pathogens | UNIVERSITY OF CINCINNATI | 2015-06-02 | — | — | US | disclosed |
| US-20090042816-A1 | Synthetic Ligands For The Differentiation Of Closely Related Toxins And Pathogens | UNIVERSITY OF CINCINNATI | 2009-02-12 | — | — | US | disclosed |