⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4457058 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL1232635 | 0.71 | ACHE (0.32) | — | |
| SCHEMBL646063 | 0.68 | GAA (0.36) | — | |
| SCHEMBL9375317 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL13865253 | 0.67 | — | — | |
| SCHEMBL4807341 | 0.66 | — | — | |
| SCHEMBL646221 | 0.66 | — | — | |
| SCHEMBL3338321 | 0.66 | — | — | |
| SCHEMBL1232048 | 0.66 | SLC6A4 (0.31) | — | |
| SCHEMBL8838250 | 0.64 | ALDH1A1 (0.36) | — |
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 5 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-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 |
| EP-2035382-A1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | Ciba Holding Inc. (CH) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008003605-A1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | CIBA HOLDING INC. (CH) | 2008-01-10 | — | — | WO | disclosed |