⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13133968 | 0.86 | AKT1 (0.42) | — | |
| SCHEMBL16249161 | 0.84 | AKT1 (0.54) | — | |
| SCHEMBL28949385 | 0.83 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL29349692 | 0.83 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL44765 | 0.83 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL13805102 | 0.83 | KDM4E (0.39) | — | |
| SCHEMBL16249156 | 0.83 | AKT1 (0.50) | — | |
| SCHEMBL21965993 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL17464028 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL16249154 | 0.79 | THRB (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9054320-B2 | 1, 2, 4-triazole-based derivative, production process and use thereof, and organic electroluminescent device | BOE TECHNOLOGY GROUP CO., LTD. (CN) | 2015-06-09 | — | — | US | disclosed |
| US-9054320-B2 | 1, 2, 4-triazole-based derivative, production process and use thereof, and organic electroluminescent device | BOE TECHNOLOGY GROUP CO., LTD. (CN) | 2015-06-09 | — | — | US | disclosed |
| US-20140343293-A1 | 1, 2, 4-TRIAZOLE-BASED DERIVATIVE, PRODUCTION PROCESS AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE | JiLin OLED Material Tech. Co., LTD. (CN) | 2014-11-20 | — | — | US | disclosed |
| US-20140343293-A1 | 1, 2, 4-TRIAZOLE-BASED DERIVATIVE, PRODUCTION PROCESS AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE | JiLin OLED Material Tech. Co., LTD. (CN) | 2014-11-20 | — | — | US | disclosed |