⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30380399 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL9959990 | 0.71 | — | — | |
| SCHEMBL8880033 | 0.71 | — | — | |
| SCHEMBL239979 | 0.68 | — | — | |
| SCHEMBL17766689 | 0.66 | — | — | |
| SCHEMBL4514508 | 0.62 | IDO1 (0.30) | — | |
| SCHEMBL29246278 | 0.61 | — | — | |
| SCHEMBL28909726 | 0.60 | — | — | |
| SCHEMBL4502073 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL4499354 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118235543-A | Composition for organic electronic devices | 默克专利有限公司 | 2024-06-21 | — | — | CN | disclosed |