⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18518076 | 0.97 | MEN1 (0.30) | — | |
| SCHEMBL18518918 | 0.96 | — | — | |
| SCHEMBL18518747 | 0.95 | — | — | |
| SCHEMBL18518976 | 0.93 | PDK2 (0.32) | — | |
| SCHEMBL26010957 | 0.93 | MEN1 (0.30) | — | |
| SCHEMBL25765712 | 0.93 | MEN1 (0.32) | — | |
| SCHEMBL24078628 | 0.92 | MEN1 (0.31) | — | |
| SCHEMBL9883277 | 0.91 | MEN1 (0.35) | — | |
| SCHEMBL21916566 | 0.91 | MEN1 (0.30) | — | |
| SCHEMBL18518727 | 0.91 | AKT1 (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 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 |