⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1986516 | 0.79 | — | — | |
| SCHEMBL28795824 | 0.77 | — | — | |
| SCHEMBL9110463 | 0.76 | — | — | |
| SCHEMBL27514365 | 0.74 | — | — | |
| SCHEMBL1989334 | 0.74 | — | — | |
| SCHEMBL8671010 | 0.74 | FDPS (0.38) | — | |
| SCHEMBL3465785 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL4077175 | 0.73 | — | — | |
| SCHEMBL15870899 | 0.72 | RIOK2 (0.49) | — | |
| SCHEMBL6657643 | 0.70 | PDPK1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408325-A | Cyanotriazole compounds | OTSUKA PHARMA CO LTD | 2016-03-16 | — | — | CN | disclosed |