⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55246 | 0.94 | — | — | |
| SCHEMBL18583040 | 0.60 | — | — | |
| SCHEMBL2825402 | 0.60 | — | — | |
| SCHEMBL6640940 | 0.54 | — | — | |
| SCHEMBL9125481 | 0.50 | — | — | |
| SCHEMBL10491054 | 0.50 | — | — | |
| SCHEMBL11226452 | 0.50 | — | — | |
| Propyne SCHEMBL7229687 | 0.50 | — | — | |
| SCHEMBL2150971 | 0.50 | — | — | |
| SCHEMBL27818268 | 0.50 | — | — |
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-107057070-B | Side-chain hydrogen-containing alkyne hybrid high-temperature-resistant polymer and preparation method thereof | 福建师范大学 | 2020-05-08 | — | — | CN | disclosed |