⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3058285 | 0.86 | GAA (0.38) | — | |
| SCHEMBL3057717 | 0.86 | — | — | |
| SCHEMBL3049653 | 0.84 | SLC18A2 (0.32) | — | |
| SCHEMBL7936712 | 0.84 | MAPT (0.37) | — | |
| SCHEMBL3056895 | 0.84 | MAPT (0.34) | — | |
| SCHEMBL8057159 | 0.82 | — | — | |
| SCHEMBL3057229 | 0.81 | SLC18A2 (0.30) | — | |
| SCHEMBL8054153 | 0.81 | NAAA (0.34) | — | |
| SCHEMBL8052046 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL3051796 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100260684-A1 | USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-10-14 | — | — | US | disclosed |
| EP-2162157-A1 | USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES | University Of Maryland Biotechnology Institute (US) | 2010-03-17 | — | — | EP | disclosed |
| WO-2008151112-A1 | USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2008-12-11 | — | — | WO | disclosed |