⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19822880 | 1.00 | — | — | |
| SCHEMBL19967005 | 0.84 | — | — | |
| SCHEMBL24116357 | 0.74 | — | — | |
| SCHEMBL17974526 | 0.74 | — | — | |
| SCHEMBL12036488 | 0.71 | — | — | |
| SCHEMBL11965977 | 0.67 | — | — | |
| SCHEMBL8324582 | 0.66 | — | — | |
| SCHEMBL21652845 | 0.66 | — | — | |
| SCHEMBL282635 | 0.66 | — | — | |
| SCHEMBL13635153 | 0.65 | — | — |
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-20180030165-A1 | Polycations and Methods of Making and Using Thereof | NATIONAL SCIENCE FOUNDATION | 2018-02-01 | — | — | US | disclosed |