⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7984654 | 0.85 | IKBKB (0.35) | — | |
| SCHEMBL12671369 | 0.85 | METAP2 (0.34) | — | |
| SCHEMBL7986374 | 0.85 | BACE1 (0.30) | — | |
| SCHEMBL7981022 | 0.84 | — | — | |
| SCHEMBL7971540 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL1418321 | 0.81 | DYRK1A (0.35) | — | |
| SCHEMBL7978690 | 0.80 | HSD11B1 (0.36) | — | |
| SCHEMBL7989416 | 0.76 | — | — | |
| SCHEMBL12671345 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL1417571 | 0.76 | ALPG (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010001946-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | アステラス製薬株式会社 (JP) | 2010-01-07 | — | — | WO | disclosed |