⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6498330 | 0.80 | DPP4 (0.33) | — | |
| SCHEMBL3599171 | 0.80 | DPP4 (0.34) | — | |
| SCHEMBL27748742 | 0.69 | — | — | |
| SCHEMBL3600518 | 0.69 | — | — | |
| SCHEMBL1444834 | 0.69 | DPP4 (0.39) | — | |
| SCHEMBL27689728 | 0.68 | — | — | |
| SCHEMBL3601318 | 0.67 | SLC7A5 (0.45) | — | |
| SCHEMBL3601315 | 0.67 | SLC7A5 (0.45) | — | |
| SCHEMBL20501432 | 0.67 | — | — | |
| SCHEMBL5509805 | 0.66 | USP2 (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-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |