⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2510797 | 1.00 | — | — | |
| SCHEMBL30391766 | 0.92 | LMNA (0.42) | — | |
| SCHEMBL5150298 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL28557394 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL29466520 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL240845 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL5154287 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL7768868 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL29604345 | 0.90 | LMNA (0.40) | — | |
| SCHEMBL29603877 | 0.90 | LMNA (0.40) | — |
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 2 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 |
| WO-1987005302-A1 | NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT | THE UPJOHN COMPANY (US) | 1987-09-11 | — | — | WO | disclosed |