⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7325120 | 1.00 | — | — | |
| SCHEMBL12363887 | 0.86 | — | — | |
| SCHEMBL12451828 | 0.86 | — | — | |
| SCHEMBL13337021 | 0.83 | LGALS1 (0.43) | — | |
| SCHEMBL6437180 | 0.82 | — | — | |
| SCHEMBL13955989 | 0.81 | LGALS1 (0.47) | — | |
| SCHEMBL26987217 | 0.81 | LGALS1 (0.47) | — | |
| SCHEMBL16837353 | 0.81 | LGALS1 (0.47) | — | |
| SCHEMBL13955988 | 0.81 | LGALS1 (0.47) | — | |
| SCHEMBL4446433 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4864017-A | Novel renin inhibiting peptides having a dihyroxyethylene isostere transition state insert | THE UPJOHN COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0237202-A2 | Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert | THE UPJOHN COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |
| WO-1987005302-A1 | NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT | THE UPJOHN COMPANY (US) | 1987-09-11 | — | — | WO | disclosed |