⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1602313 | 0.86 | POLB (0.31) | — | |
| SCHEMBL1600780 | 0.84 | POLB (0.32) | — | |
| Cyclopentanecarbaldehyde SCHEMBL16774673 | 0.74 | — | — | |
| Water SCHEMBL28646374 | 0.70 | ADH1A (0.39) | — | |
| Water SCHEMBL29106653 | 0.70 | — | — | |
| Water SCHEMBL11299280 | 0.70 | ADH1A (0.39) | — | |
| Ethylene SCHEMBL11012327 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL5249921 | 0.68 | — | — | |
| SCHEMBL329469 | 0.67 | ADH1A (0.41) | — | |
| Cycloheptane Carbaldehyde SCHEMBL95620 | 0.67 | — | — |
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-20040127488-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED | 2004-07-01 | — | — | US | disclosed |