⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5705020 | 1.00 | — | — | |
| SCHEMBL10810312 | 0.80 | — | — | |
| SCHEMBL23094486 | 0.77 | ALDH1A1 (0.51) | — | |
| SCHEMBL23794087 | 0.76 | — | — | |
| SCHEMBL17813824 | 0.74 | ALDH1A1 (0.49) | — | |
| SCHEMBL23094679 | 0.74 | ALDH1A1 (0.51) | — | |
| SCHEMBL17813784 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL2589792 | 0.71 | MEN1 (0.68) | — | |
| SCHEMBL2589796 | 0.71 | MEN1 (0.68) | — | |
| SCHEMBL686422 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1323714-B1 | 1,3-selenazole derivatives and their use as anticancer drugs or as agrochemicals | PRESIDENT OF GIFU UNIVERSITY (JP) | 2006-09-20 | — | — | EP | disclosed |