⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17108235 | 0.72 | — | — | |
| SCHEMBL18812002 | 0.69 | — | — | |
| SCHEMBL6873660 | 0.68 | — | — | |
| SCHEMBL14084913 | 0.68 | — | — | |
| SCHEMBL3402529 | 0.66 | — | — | |
| SCHEMBL12324557 | 0.61 | — | — | |
| SCHEMBL13536482 | 0.59 | GABRA1 (0.32) | — | |
| SCHEMBL12341883 | 0.56 | — | — | |
| SCHEMBL8101119 | 0.55 | — | — | |
| SCHEMBL15372456 | 0.52 | — | — |
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-2049514-B1 | NITRATE ESTERS OF PIPERIDINES | NOVARTIS AG (CH) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010000763-A2 | COMBINATION PRODUCTS | NOVARTIS AG (CH) | 2010-01-07 | — | — | WO | disclosed |
| EP-1367111-B1 | PHOTOCHROMIC MATERIAL | JAPAN SCIENCE & TECH AGENCY (JP) | 2009-07-22 | — | — | EP | disclosed |
| WO-2009047296-A2 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE | NOVARTIS AG (CH) | 2009-04-16 | — | — | WO | disclosed |
| WO-2008031550-A2 | NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| WO-2008031811-A1 | NITRATE ESTERS OF AMINOALCOHOLS | SPEEDEL EXPERIMENTA AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| WO-2008017685-A1 | NITRATE ESTERS OF PIPERIDINES | SPEEDEL EXPERIMENTA AG (CH) | 2008-02-14 | — | — | WO | disclosed |
| WO-2006119504-A2 | FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF | RENOVIS, INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| WO-2006114262-A1 | ACETYLENE DERIVATIVES | NOVARTIS AG (CH) | 2006-11-02 | — | — | WO | disclosed |