⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284107 | 1.00 | — | — | |
| SCHEMBL2107487 | 0.82 | — | — | |
| SCHEMBL10793567 | 0.82 | — | — | |
| SCHEMBL29160979 | 0.82 | — | — | |
| SCHEMBL14503179 | 0.82 | — | — | |
| SCHEMBL789937 | 0.82 | — | — | |
| SCHEMBL37610 | 0.82 | — | — | |
| SCHEMBL284016 | 0.81 | — | — | |
| SCHEMBL1779196 | 0.80 | — | — | |
| SCHEMBL19444688 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180140581-A1 | METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-24 | — | — | US | disclosed |