⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4451057 | 0.96 | — | — | |
| Ethylene SCHEMBL28760441 | 0.84 | — | — | |
| Ethylene SCHEMBL109813 | 0.84 | — | — | |
| Vinyl Chloride SCHEMBL10577685 | 0.81 | — | — | |
| Ethylene SCHEMBL27796765 | 0.81 | — | — | |
| Propene SCHEMBL810166 | 0.79 | — | — | |
| Vinyl Chloride SCHEMBL28222337 | 0.79 | — | — | |
| SCHEMBL28376905 | 0.77 | — | — | |
| Tetrafluoroethylene SCHEMBL1232180 | 0.76 | — | — | |
| SCHEMBL28241283 | 0.76 | TSHR (0.30) | — |
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-104066772-B | Two-and three-component siloxanes and related compounds and compositions | 基默琳控股集团有限责任公司 | 2016-09-14 | — | — | CN | disclosed |