⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15499807 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL7267188 | 0.80 | — | — | |
| SCHEMBL6773592 | 0.77 | — | — | |
| SCHEMBL21654555 | 0.76 | — | — | |
| SCHEMBL2500295 | 0.76 | KDM4E (0.57) | — | |
| SCHEMBL24038950 | 0.74 | — | — | |
| SCHEMBL21153121 | 0.74 | KDM4E (0.44) | — | |
| SCHEMBL22245521 | 0.74 | — | — | |
| SCHEMBL2242250 | 0.71 | — | — | |
| SCHEMBL13034177 | 0.71 | — | — |
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-20140065075-A1 | TARGETED CONTRAST AGENTS AND USES THEREOF | RF THERAPEUTICS INC. (CA) | 2014-03-06 | — | — | US | disclosed |