⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1452385 | 0.67 | — | — | |
| SCHEMBL1885371 | 0.67 | — | — | |
| SCHEMBL31501146 | 0.67 | — | — | |
| SCHEMBL18955199 | 0.63 | — | — | |
| SCHEMBL28639734 | 0.63 | CYP3A4 (0.33) | — | |
| SCHEMBL5141263 | 0.62 | — | — | |
| SCHEMBL380631 | 0.62 | — | — | |
| SCHEMBL12393541 | 0.62 | — | — | |
| SCHEMBL12220780 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31417166 | 0.60 | HSP90AA1 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0509354-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 2000-08-23 | — | — | EP | claimed |
| US-5393875-A | Hypotensive, cardiotonic and antiischemic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | claimed |
| EP-0509354-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-21 | — | — | EP | claimed |
| EP-0509354-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 2000-08-23 | — | — | EP | disclosed |
| US-5393875-A | Hypotensive, cardiotonic and antiischemic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0509354-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-21 | — | — | EP | disclosed |