⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23030648 | 0.93 | — | — | |
| SCHEMBL23030632 | 0.92 | — | — | |
| SCHEMBL23030605 | 0.91 | — | — | |
| SCHEMBL23030644 | 0.90 | BRDT (0.32) | — | |
| SCHEMBL23030643 | 0.88 | PIK3CD (0.31) | — | |
| SCHEMBL23030645 | 0.88 | SIRT2 (0.30) | — | |
| SCHEMBL23030613 | 0.88 | — | — | |
| SCHEMBL23030619 | 0.87 | — | — | |
| SCHEMBL23030638 | 0.87 | — | — | |
| SCHEMBL23030642 | 0.87 | PRKDC (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-2021033980-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-02-25 | — | — | WO | disclosed |