⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7465332 | 0.81 | — | — | |
| SCHEMBL30574613 | 0.79 | — | — | |
| SCHEMBL10422881 | 0.77 | — | — | |
| SCHEMBL15076445 | 0.75 | USP2 (0.43) | — | |
| SCHEMBL15863491 | 0.75 | CYP4F2 (0.30) | — | |
| SCHEMBL15369647 | 0.75 | DUT (0.30) | — | |
| SCHEMBL4711284 | 0.74 | — | — | |
| SCHEMBL685630 | 0.73 | — | — | |
| SCHEMBL15285722 | 0.73 | — | — | |
| SCHEMBL19374986 | 0.72 | P2RX7 (0.31) | — |
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-20200306737-A1 | SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2020-10-01 | — | — | US | disclosed |