⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3244147 | 0.77 | — | — | |
| SCHEMBL27513669 | 0.74 | — | — | |
| SCHEMBL5263447 | 0.73 | — | — | |
| SCHEMBL1752092 | 0.73 | — | — | |
| SCHEMBL28275915 | 0.72 | — | — | |
| SCHEMBL2574568 | 0.72 | — | — | |
| SCHEMBL7045074 | 0.70 | — | — | |
| SCHEMBL28265245 | 0.70 | — | — | |
| SCHEMBL5848314 | 0.69 | — | — | |
| SCHEMBL916741 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3271353-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. Hoffmann-La Roche AG (CH) | 2018-01-24 | — | — | EP | disclosed |
| WO-2016146600-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-22 | — | — | WO | disclosed |
| EP-1656357-A1 | OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005005399-A1 | OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF | MERCK & CO., INC. (US) | 2005-01-20 | — | — | WO | disclosed |