⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13689281 | 0.78 | — | — | |
| SCHEMBL20942720 | 0.77 | THRB (0.31) | — | |
| SCHEMBL8232103 | 0.77 | DPP4 (0.48) | — | |
| SCHEMBL16449772 | 0.75 | KMT2A (0.42) | — | |
| SCHEMBL16449776 | 0.73 | CA1 (0.54) | — | |
| SCHEMBL10457647 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1276262 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL16002316 | 0.71 | KMT2A (0.41) | — | |
| SCHEMBL12977329 | 0.70 | CYP2C19 (0.46) | — | |
| SCHEMBL16449775 | 0.70 | HPGD (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130295261-A1 | ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS | SENOMYX, INC. (US) | 2013-11-07 | — | — | US | disclosed |
| US-8420145-B2 | Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers | SENOMYX, INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-20090220662-A1 | ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS | SENOMYX, INC. | 2009-09-03 | — | — | US | disclosed |
| US-20090042973-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-12 | — | — | US | disclosed |
| US-20090042973-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-12 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |