⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL511927 | 0.96 | — | — | |
| SCHEMBL14470535 | 0.93 | TTR (0.43) | — | |
| Iodide SCHEMBL10532969 | 0.93 | — | — | |
| Water SCHEMBL1826623 | 0.93 | — | — | |
| SCHEMBL9177113 | 0.93 | TTR (0.33) | — | |
| Hydrochloric Acid SCHEMBL1934796 | 0.93 | — | — | |
| Bromide SCHEMBL9398217 | 0.93 | — | — | |
| SCHEMBL1718305 | 0.84 | — | — | |
| Sulfuric Acid SCHEMBL2100296 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL2100297 | 0.80 | CA5A (0.32) | — |
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-4449005-A | REACTING A CHLOROETHYL SULFIDE AND QUATERNARY AMMONIUM OR QUATERNARY PHOSPHONIUM FLUORIDE TO PRODUCE A VINYL SULFIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-05-15 | — | — | US | disclosed |