⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12699648 | 0.91 | — | — | |
| SCHEMBL12699647 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL15131520 | 0.87 | PDK2 (0.37) | — | |
| SCHEMBL10052044 | 0.86 | — | — | |
| SCHEMBL10052043 | 0.86 | — | — | |
| SCHEMBL23280234 | 0.81 | PDK2 (0.41) | — | |
| SCHEMBL13355937 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL13475479 | 0.79 | PDK2 (0.33) | — | |
| SCHEMBL13781104 | 0.79 | PDK2 (0.43) | — | |
| SCHEMBL364863 | 0.79 | PDK2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012048900-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) | 2012-04-19 | — | — | WO | disclosed |
| WO-2012007102-A1 | POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | disclosed |