⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21383118 | 1.00 | — | — | |
| SCHEMBL3077211 | 0.77 | IDO1 (0.30) | — | |
| SCHEMBL24265597 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL10442401 | 0.74 | — | — | |
| SCHEMBL3074714 | 0.74 | HTR6 (0.30) | — | |
| SCHEMBL3074983 | 0.74 | IDO1 (0.36) | — | |
| SCHEMBL3833168 | 0.74 | — | — | |
| SCHEMBL11600221 | 0.72 | — | — | |
| SCHEMBL29843375 | 0.72 | — | — | |
| SCHEMBL9675451 | 0.71 | ALDH1A1 (0.34) | — |
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-111683942-B | Compound, organic light-emitting device and display device | SK 株式会社 | 2024-10-25 | — | — | CN | disclosed |