⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290488 | 1.00 | — | — | |
| SCHEMBL23767390 | 1.00 | — | — | |
| SCHEMBL11772804 | 0.85 | ACE2 (0.48) | — | |
| SCHEMBL9163435 | 0.84 | — | — | |
| SCHEMBL1409399 | 0.84 | — | — | |
| SCHEMBL1410433 | 0.82 | CA1 (0.61) | — | |
| SCHEMBL1409670 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL2487690 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL9405814 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL8020771 | 0.80 | CA1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763969-B1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-11-25 | — | — | EP | disclosed |
| EP-2763969-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| US-8530472-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-09-10 | — | — | US | disclosed |
| WO-2013050460-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| US-20130090347-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| US-7160880-B1 | Short-acting benzodiazepines | CENES LIMITED (GB) | 2007-01-09 | — | — | US | disclosed |
| US-5827855-A | ANTICHOLESTEROL AGENTS TREATING CARDIOVASCULAR DISORDERS; ENZYME INHIBITORS | SANKYO COMPANY, LIMITED (JP) | 1998-10-27 | — | — | US | disclosed |
| US-5451688-A | Inhibit biosynthesis of cholesterol | SANKYO COMPANY, LIMITED (JP) | 1995-09-19 | — | — | US | disclosed |
| EP-0605230-A1 | Hexanhydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-07-06 | — | — | EP | disclosed |