⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23600408 | 0.98 | — | — | |
| SCHEMBL23600416 | 0.97 | — | — | |
| SCHEMBL23600400 | 0.95 | — | — | |
| SCHEMBL23600403 | 0.95 | KDM4E (0.30) | — | |
| SCHEMBL23600414 | 0.95 | — | — | |
| SCHEMBL23600415 | 0.95 | — | — | |
| SCHEMBL24691030 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL24716422 | 0.91 | HDAC4 (0.31) | — | |
| SCHEMBL24691032 | 0.91 | PRSS1 (0.30) | — | |
| SCHEMBL24696663 | 0.90 | — | — |
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-2021131770-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | 日鉄ケミカル＆マテリアル株式会社 | 2021-07-01 | — | — | WO | disclosed |