⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995994 | 0.75 | — | — | |
| SCHEMBL1529276 | 0.71 | — | — | |
| Urea SCHEMBL2440792 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL3792944 | 0.69 | — | — | |
| SCHEMBL724555 | 0.67 | — | — | |
| SCHEMBL471838 | 0.67 | — | — | |
| SCHEMBL20147753 | 0.66 | — | — | |
| SCHEMBL29622 | 0.66 | — | — | |
| SCHEMBL3067654 | 0.64 | — | — | |
| SCHEMBL3033034 | 0.64 | — | — |
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-10975260-B2 | Monomers, polymers and coating formulations that comprise at least one N-halamine precursor, a cationic center and a coating incorporation group | UNIVERSITY OF MANITOBA (CA) | 2021-04-13 | — | — | US | disclosed |