⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL3618483 | 0.96 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL2975678 | 0.96 | — | — | |
| SCHEMBL3093207 | 0.93 | ALDH1A1 (0.53) | — | |
| Tetrahydrofuran SCHEMBL11521890 | 0.88 | — | — | |
| Tetrahydrofuran SCHEMBL193538 | 0.88 | — | — | |
| Tetrahydrofuran SCHEMBL2812148 | 0.86 | ALDH1A1 (0.53) | — | |
| Tetrahydrofuran SCHEMBL28088571 | 0.85 | ALDH1A1 (0.44) | — | |
| Tetrahydrofuran SCHEMBL28748091 | 0.85 | ALDH1A1 (0.61) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL5687952 | 0.85 | ALDH1A1 (0.61) | — | |
| Tetrahydrofuran SCHEMBL29225232 | 0.84 | — | — |
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-114907259-A | Synthetic method of Sotolira intermediate | 常州中氪生命科学技术有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-114907259-A | Synthetic method of Sotolira intermediate | 常州中氪生命科学技术有限公司 | 2022-08-16 | — | — | CN | disclosed |