⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13526019 | 0.97 | — | — | |
| SCHEMBL14139620 | 0.97 | — | — | |
| SCHEMBL14286104 | 0.97 | — | — | |
| SCHEMBL20876352 | 0.79 | PDE2A (0.30) | — | |
| SCHEMBL28180022 | 0.79 | PDE2A (0.30) | — | |
| SCHEMBL16808807 | 0.74 | — | — | |
| SCHEMBL15608021 | 0.74 | — | — | |
| SCHEMBL19299957 | 0.74 | — | — | |
| SCHEMBL22776586 | 0.74 | — | — | |
| SCHEMBL15545793 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3151817-A1 | SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | The Scripps Research Institute (US) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015188120-A1 | SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-12-10 | — | — | WO | disclosed |