⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15894646 | 1.00 | — | — | |
| SCHEMBL28000633 | 0.98 | — | — | |
| SCHEMBL1325803 | 0.93 | — | — | |
| SCHEMBL11880815 | 0.91 | CYP2C19 (0.31) | — | |
| Water SCHEMBL28036465 | 0.91 | — | — | |
| SCHEMBL28000808 | 0.84 | — | — | |
| SCHEMBL16766049 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL16766711 | 0.79 | THRA (0.30) | — | |
| SCHEMBL16766563 | 0.79 | — | — | |
| SCHEMBL16765878 | 0.79 | SLC18A2 (0.33) | — |
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-7371747-B2 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2008-05-13 | — | — | US | disclosed |