⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16908304 | 0.96 | — | — | |
| SCHEMBL29429670 | 0.96 | — | — | |
| SCHEMBL21962863 | 0.96 | — | — | |
| SCHEMBL10188243 | 0.96 | — | — | |
| SCHEMBL29455242 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1583232 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL17110895 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL17110939 | 0.92 | — | — | |
| Iodide SCHEMBL29022385 | 0.92 | — | — | |
| SCHEMBL16665097 | 0.92 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107900-B1 | 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | SERVIER LAB (FR) | 2017-11-15 | — | — | EP | disclosed |
| WO-2007104775-A1 | COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2007-09-20 | — | — | WO | disclosed |
| WO-2007104776-A1 | N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-09-20 | — | — | WO | disclosed |