⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20961124 | 0.78 | GAA (0.34) | — | |
| SCHEMBL20960859 | 0.76 | ANPEP (0.39) | — | |
| SCHEMBL20181048 | 0.75 | MMP8 (0.30) | — | |
| SCHEMBL3425756 | 0.75 | — | — | |
| SCHEMBL20628677 | 0.74 | GAA (0.31) | — | |
| SCHEMBL21538851 | 0.72 | MMP8 (0.31) | — | |
| SCHEMBL13622560 | 0.71 | — | — | |
| SCHEMBL22664282 | 0.71 | — | — | |
| SCHEMBL18684605 | 0.71 | — | — | |
| SCHEMBL20960872 | 0.70 | MEN1 (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2984084-B1 | HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION | BRUKER FRANCE S A S (FR) | 2022-05-04 | — | — | EP | disclosed |
| US-20050124691-A1 | Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same | KELLEHER JUDITH A (US) | 2005-06-09 | — | — | US | disclosed |
| EP-1025079-B1 | $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | RENOVIS INC (US) | 2005-02-02 | — | — | EP | disclosed |
| US-20030087957-A1 | Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same | RENOVIS, INC. | 2003-05-08 | — | — | US | disclosed |
| US-6441032-B1 | TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS | CENTAUR PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |
| US-6433008-B1 | TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION | CENTAUR PHARMACEUTICALS, INC. | 2002-08-13 | — | — | US | disclosed |
| EP-1025079-A1 | $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-08-09 | — | — | EP | disclosed |
| US-6046232-A | THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-04-04 | — | — | US | disclosed |
| WO-1999020601-A1 | α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-04-29 | — | — | WO | disclosed |