⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19685698 | 0.91 | PGR (0.32) | — | |
| SCHEMBL19679953 | 0.89 | SRC (0.32) | — | |
| SCHEMBL19679949 | 0.85 | PSEN1 (0.36) | — | |
| SCHEMBL21146905 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL21147505 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL19686150 | 0.80 | PSEN1 (0.35) | — | |
| SCHEMBL19679950 | 0.79 | SRC (0.38) | — | |
| SCHEMBL19679951 | 0.77 | SRC (0.31) | — | |
| SCHEMBL21952869 | 0.76 | PSEN1 (0.32) | — | |
| SCHEMBL19679945 | 0.75 | PSEN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170352812-A1 | NITROGEN ANNULATED PERYLENE DIIMIDES FOR USE AS ELECTRON TRANSPORT MATERIALS IN ORGANIC ELECTRONIC DEVICES | UTI LIMITED PARTNERSHIP (CA) | 2017-12-07 | — | — | US | disclosed |