⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6668427 | 0.84 | — | — | |
| SCHEMBL16792404 | 0.81 | — | — | |
| SCHEMBL8635067 | 0.80 | — | — | |
| SCHEMBL16792423 | 0.77 | — | — | |
| SCHEMBL302963 | 0.76 | — | — | |
| SCHEMBL712421 | 0.76 | — | — | |
| SCHEMBL22118759 | 0.75 | — | — | |
| SCHEMBL17867621 | 0.73 | — | — | |
| SCHEMBL17513689 | 0.71 | — | — | |
| SCHEMBL22553323 | 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 |
|---|---|---|---|---|---|---|---|
| CN-113166472-A | Curable fluoropolymer compositions comprising bisphthalonitrile-containing compounds and cured articles thereof | 3M创新有限公司 | 2021-07-23 | — | — | CN | disclosed |