⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7982152 | 0.93 | — | — | |
| SCHEMBL7974922 | 0.93 | — | — | |
| SCHEMBL7974923 | 0.86 | — | — | |
| SCHEMBL7988036 | 0.82 | — | — | |
| SCHEMBL7982203 | 0.80 | PSEN1 (0.31) | — | |
| SCHEMBL7981384 | 0.80 | ADRA1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL1417587 | 0.80 | ADRA1A (0.32) | — | |
| SCHEMBL12671428 | 0.77 | DAPK3 (0.36) | — | |
| SCHEMBL7984778 | 0.76 | HCAR2 (0.35) | — | |
| SCHEMBL7980893 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8377923-B2 | Triazole derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2013-02-19 | — | — | US | disclosed |
| US-20110105460-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2011-05-05 | — | — | US | disclosed |
| 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 |