⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19683801 | 0.93 | — | — | |
| SCHEMBL19683844 | 0.92 | — | — | |
| SCHEMBL19683872 | 0.92 | — | — | |
| SCHEMBL19683969 | 0.92 | — | — | |
| SCHEMBL20387575 | 0.91 | — | — | |
| SCHEMBL19683845 | 0.90 | — | — | |
| SCHEMBL24432090 | 0.90 | CA12 (0.31) | — | |
| SCHEMBL19001945 | 0.89 | PDK2 (0.31) | — | |
| SCHEMBL20619095 | 0.89 | PDK2 (0.33) | — | |
| SCHEMBL19683976 | 0.89 | PDK2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3464244-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-11-17 | — | — | EP | disclosed |
| US-20190312203-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2019-10-10 | — | — | US | disclosed |
| WO-2017207596-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-12-07 | — | — | WO | disclosed |