⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9195038 | 0.75 | — | — | |
| SCHEMBL12391772 | 0.73 | — | — | |
| SCHEMBL2147296 | 0.73 | — | — | |
| SCHEMBL20763596 | 0.72 | SLC6A2 (0.43) | — | |
| SCHEMBL28413117 | 0.71 | — | — | |
| SCHEMBL13964910 | 0.71 | RIPK1 (0.33) | — | |
| SCHEMBL10600911 | 0.71 | — | — | |
| SCHEMBL5400057 | 0.69 | — | — | |
| SCHEMBL26463721 | 0.69 | RIPK1 (0.32) | — | |
| SCHEMBL24706040 | 0.69 | RIPK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |