⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8906298 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL11215433 | 0.73 | — | — | |
| SCHEMBL3289759 | 0.73 | — | — | |
| SCHEMBL8905042 | 0.73 | — | — | |
| SCHEMBL16474023 | 0.71 | NOS3 (0.46) | — | |
| SCHEMBL3296119 | 0.70 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL678567 | 0.69 | LMNA (0.54) | — | |
| SCHEMBL8906308 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL3289898 | 0.69 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL6244223 | 0.69 | LMNA (0.39) | — |
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-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |