⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1417454 | 0.93 | METAP2 (0.30) | — | |
| SCHEMBL1418148 | 0.81 | CLK4 (0.40) | — | |
| SCHEMBL1417456 | 0.80 | DAPK3 (0.44) | — | |
| SCHEMBL7984625 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL7988052 | 0.78 | CDK8 (0.34) | — | |
| SCHEMBL12671338 | 0.77 | CYP11B1 (0.36) | — | |
| SCHEMBL7984537 | 0.77 | CCNC (0.31) | — | |
| SCHEMBL7982928 | 0.77 | MAPK14 (0.39) | — | |
| SCHEMBL7980163 | 0.76 | P2RX7 (0.36) | — | |
| SCHEMBL7980172 | 0.76 | CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298747-B1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2016-12-28 | — | — | EP | disclosed |
| 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 |
| EP-2298747-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2011-03-23 | — | — | EP | disclosed |