⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8480580 | 0.83 | — | — | |
| SCHEMBL16738339 | 0.76 | — | — | |
| SCHEMBL757874 | 0.65 | — | — | |
| SCHEMBL4288227 | 0.65 | — | — | |
| SCHEMBL15287005 | 0.52 | CYP3A4 (0.38) | — | |
| SCHEMBL30005 | 0.52 | — | — | |
| SCHEMBL9827923 | 0.50 | CYP3A4 (0.52) | — | |
| SCHEMBL29941563 | 0.48 | KDM4E (0.41) | — | |
| Fluoride SCHEMBL9547349 | 0.48 | — | — | |
| SCHEMBL2239709 | 0.43 | — | — |
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-7922776-B2 | Shrinkage inhibition; wrinkle resistance; contacting cellulose with enzyme; then overcoating with polymer | ZHANG YU-GAO | 2011-04-12 | — | — | US | claimed |