⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28436493 | 0.81 | — | — | |
| SCHEMBL9454707 | 0.80 | — | — | |
| SCHEMBL4370298 | 0.75 | — | — | |
| SCHEMBL31424078 | 0.70 | — | — | |
| SCHEMBL28192027 | 0.67 | — | — | |
| SCHEMBL28428572 | 0.65 | — | — | |
| SCHEMBL10781179 | 0.64 | — | — | |
| SCHEMBL28866225 | 0.62 | — | — | |
| SCHEMBL4843472 | 0.61 | — | — | |
| SCHEMBL29707188 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119431112-A | Method for separating multiple phenols from cresol containing 2, 6-xylenol | 煤炭科学技术研究院有限公司 | 2025-02-14 | — | — | CN | disclosed |
| CN-1159131-A | Electroluminescent devices | BAYER AG (DE) | 1997-09-10 | — | — | CN | disclosed |