⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9614260 | 1.00 | — | — | |
| SCHEMBL806100 | 1.00 | — | — | |
| Iodide SCHEMBL5700580 | 0.96 | — | — | |
| Phosphonic Acid SCHEMBL10497322 | 0.85 | LMNA (0.42) | — | |
| Glycerin SCHEMBL27580068 | 0.80 | — | — | |
| Diiodohydroxypropane SCHEMBL2279164 | 0.79 | — | — | |
| Glycerin SCHEMBL10453101 | 0.74 | LMNA (1.00) | — | |
| Glycerin SCHEMBL797 | 0.74 | — | — | |
| Glycerin SCHEMBL9439059 | 0.74 | LMNA (1.00) | — | |
| Glycerin SCHEMBL3418854 | 0.74 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2625169-B1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA LP (US) | 2015-03-25 | — | — | EP | disclosed |
| WO-2014151030-A1 | CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2014-09-25 | — | — | WO | disclosed |
| EP-2582666-B1 | ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS | PURDUE PHARMA LP (US) | 2014-08-13 | — | — | EP | disclosed |
| WO-2011158108-A2 | ARYL SUBSTITUTED INDOLES AND THE USE THEREOF | PURDUE PHARMA L.P. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2010014939-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-02-04 | — | — | WO | disclosed |