⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12910950 | 0.81 | — | — | |
| SCHEMBL9040920 | 0.81 | GAA (0.32) | — | |
| SCHEMBL13129122 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL7473648 | 0.79 | GAA (0.31) | — | |
| SCHEMBL12945845 | 0.76 | — | — | |
| SCHEMBL17928383 | 0.74 | — | — | |
| SCHEMBL352949 | 0.74 | GAA (0.36) | — | |
| SCHEMBL3474786 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL13008595 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL4990536 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2035381-B1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | BASF SE (DE) | 2010-12-29 | — | — | EP | disclosed |
| WO-2008003602-A1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | CIBA HOLDING INC. (CH) | 2008-01-10 | — | — | WO | disclosed |