⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18518978 | 0.98 | PDK2 (0.31) | — | |
| SCHEMBL18518168 | 0.97 | MEN1 (0.31) | — | |
| SCHEMBL21916566 | 0.96 | MEN1 (0.30) | — | |
| SCHEMBL18518976 | 0.96 | PDK2 (0.32) | — | |
| SCHEMBL18518241 | 0.94 | KDM4E (0.32) | — | |
| SCHEMBL18518728 | 0.94 | KDM4E (0.32) | — | |
| SCHEMBL18518812 | 0.93 | PDK2 (0.31) | — | |
| SCHEMBL18518236 | 0.93 | AKT1 (0.31) | — | |
| SCHEMBL18518725 | 0.93 | AKT1 (0.32) | — | |
| SCHEMBL21916562 | 0.92 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017025164-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | WO | disclosed |