⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19218363 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL19218316 | 0.91 | — | — | |
| SCHEMBL19218309 | 0.91 | PDK2 (0.33) | — | |
| SCHEMBL19218330 | 0.90 | PDK2 (0.32) | — | |
| SCHEMBL19218311 | 0.90 | PDK2 (0.32) | — | |
| SCHEMBL19218325 | 0.90 | — | — | |
| SCHEMBL19218317 | 0.90 | PDK2 (0.33) | — | |
| SCHEMBL19218206 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL21108137 | 0.88 | — | — | |
| SCHEMBL24750391 | 0.87 | MLNR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170229649-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2017-08-10 | — | — | US | disclosed |
| US-20170229649-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2017-08-10 | — | — | US | disclosed |