⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1344323 | 0.78 | — | — | |
| SCHEMBL29782947 | 0.78 | — | — | |
| SCHEMBL315024 | 0.74 | — | — | |
| SCHEMBL29694461 | 0.74 | — | — | |
| SCHEMBL19837358 | 0.74 | — | — | |
| SCHEMBL4022308 | 0.74 | — | — | |
| SCHEMBL16979654 | 0.74 | — | — | |
| SCHEMBL2353586 | 0.74 | — | — | |
| SCHEMBL15940548 | 0.74 | — | — | |
| SCHEMBL444343 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070060618-A1 | Alkyne derivatives as tracers for metabotropic glutamate receptor binding | MERCK & CO., INC. (US) | 2007-03-15 | — | — | US | disclosed |
| EP-1556142-A4 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | MERCK & CO INC (US) | 2006-11-08 | — | — | EP | disclosed |
| EP-1556142-A2 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | Merck & Co., Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004038374-A2 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | MERCK & CO., INC. (US) | 2004-05-06 | — | — | WO | disclosed |