⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14310769 | 0.92 | — | — | |
| SCHEMBL2019127 | 0.74 | GAA (0.35) | — | |
| SCHEMBL2022920 | 0.72 | CYP2C9 (0.33) | — | |
| SCHEMBL2021977 | 0.67 | — | — | |
| SCHEMBL2020391 | 0.66 | — | — | |
| SCHEMBL14310770 | 0.65 | CYP2C9 (0.30) | — | |
| SCHEMBL7473797 | 0.63 | NAAA (0.42) | — | |
| SCHEMBL15624087 | 0.61 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL13882031 | 0.60 | GBA1 (0.40) | — | |
| SCHEMBL13882029 | 0.59 | GBA1 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481726-B2 | Process for the preparation of sterically hindered nitroxyl ethers | BASF SE (DE) | 2013-07-09 | — | — | US | disclosed |
| US-8481726-B2 | Process for the preparation of sterically hindered nitroxyl ethers | BASF SE (DE) | 2013-07-09 | — | — | US | disclosed |
| US-8481726-B2 | Process for the preparation of sterically hindered nitroxyl ethers | BASF SE (DE) | 2013-07-09 | — | — | US | disclosed |
| US-20110160453-A1 | Process for the preparation of sterically hindered nitroxyl ethers | CIBA CORPORATION | 2011-06-30 | — | — | US | disclosed |
| US-20110160453-A1 | Process for the preparation of sterically hindered nitroxyl ethers | CIBA CORPORATION | 2011-06-30 | — | — | US | disclosed |
| US-20110160453-A1 | Process for the preparation of sterically hindered nitroxyl ethers | CIBA CORPORATION | 2011-06-30 | — | — | US | disclosed |
| EP-2035382-B1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | BASF SE (DE) | 2009-11-18 | — | — | EP | disclosed |