⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3263904 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL3111086 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL499832 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL2323450 | 0.77 | BACE1 (0.30) | — | |
| SCHEMBL2326139 | 0.77 | BACE1 (0.30) | — | |
| SCHEMBL2028803 | 0.72 | — | — | |
| SCHEMBL2028800 | 0.72 | — | — | |
| SCHEMBL2364185 | 0.71 | ANPEP (0.34) | — | |
| SCHEMBL2364260 | 0.71 | ANPEP (0.34) | — | |
| SCHEMBL3616372 | 0.71 | ANPEP (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106221-B2 | Renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |