⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17902645 | 0.74 | — | — | |
| SCHEMBL3208293 | 0.71 | USP2 (0.41) | — | |
| SCHEMBL1772672 | 0.71 | — | — | |
| SCHEMBL28728417 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL10551938 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL29214421 | 0.69 | — | — | |
| SCHEMBL1971341 | 0.69 | — | — | |
| SCHEMBL6200806 | 0.67 | — | — | |
| SCHEMBL7045868 | 0.67 | — | — | |
| SCHEMBL6013328 | 0.67 | — | — |
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-0418696-A2 | Derivatives of aminoacids | MERCK PATENT GmbH (DE) | 1991-03-27 | — | — | EP | disclosed |
| EP-0339483-A2 | Renin inhbiting amino-acid derivatives | MERCK PATENT GmbH (DE) | 1989-11-02 | — | — | EP | disclosed |
| EP-0337334-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1989-10-18 | — | — | EP | disclosed |