⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1081241 | 0.90 | — | — | |
| SCHEMBL11318400 | 0.63 | — | — | |
| SCHEMBL19521305 | 0.63 | — | — | |
| SCHEMBL20476307 | 0.61 | — | — | |
| SCHEMBL10370945 | 0.60 | — | — | |
| SCHEMBL5141258 | 0.59 | — | — | |
| SCHEMBL8525292 | 0.59 | — | — | |
| SCHEMBL1124085 | 0.59 | — | — | |
| SCHEMBL3962132 | 0.59 | MEN1 (0.30) | — | |
| SCHEMBL3963090 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1882283-B1 | N-OXIDE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL | 3M INNOVATIVE PROPERTIES CO (US) | 2010-08-25 | — | — | EP | disclosed |
| CN-101595591-A | The N-oxide redox shuttles that is used for rechargeable lithium ion battery | 3M INNOVATIVE PROPERTIES CO (US) | 2009-12-02 | — | — | CN | disclosed |
| US-7615317-B2 | positive electrode selected from LiCoPO4, LiFePO4, Li2FeS2, Li2FeSiO4, LiMnPO4, LiNiPO4, LiVOPO4F, Li3V2(PO4)3, LiPF6 or lithium bis(oxalato)borate as lithium salt, cyclable redox chemical shuttle comprising 2,2,6,6-tetramethyl-1-piperidinyl N-oxide (TEMPO) or substituted TEMPO; overcharge protection | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2009-11-10 | — | — | US | disclosed |
| EP-1882283-A2 | N-OXIDE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL | 3M Innovative Properties Company (US) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006124389-A2 | N-OXIDE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-11-23 | — | — | WO | disclosed |
| US-20060263695-A1 | N-oxide redox shuttles for rechargeable lithium-ion cell | 3M INNOVATIVE PROPERTIES COMPANY | 2006-11-23 | — | — | US | disclosed |