⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29016450 | 0.88 | — | — | |
| SCHEMBL31403432 | 0.87 | CNR2 (0.32) | — | |
| SCHEMBL30450532 | 0.81 | GABRA1 (0.33) | — | |
| SCHEMBL29016458 | 0.80 | CNR1 (0.32) | — | |
| SCHEMBL29016439 | 0.79 | CETP (0.33) | — | |
| SCHEMBL29016459 | 0.78 | CYP1A2 (0.30) | — | |
| SCHEMBL29016452 | 0.78 | CNR2 (0.32) | — | |
| SCHEMBL29393395 | 0.77 | EPHX2 (0.34) | — | |
| SCHEMBL12720287 | 0.77 | MAPK1 (0.31) | — | |
| SCHEMBL30352766 | 0.76 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116429932-A | Separation and detection method for liquid crystal and decomposition products in sulfuric acid leaching solution of waste liquid crystal panel | 中国环境科学研究院 | 2023-07-14 | — | — | CN | claimed |
| CN-116429932-A | Separation and detection method for liquid crystal and decomposition products in sulfuric acid leaching solution of waste liquid crystal panel | 中国环境科学研究院 | 2023-07-14 | — | — | CN | disclosed |