⚠ 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27835612 | 0.95 | ADH1A (0.33) | — | |
| Cyclopentanol SCHEMBL27904360 | 0.93 | TSHR (0.43) | — | |
| Cyclohexanol SCHEMBL28322846 | 0.91 | TSHR (0.42) | — | |
| Ethoxycarbonyl Group SCHEMBL27942406 | 0.89 | SHBG (0.33) | — | |
| Ethoxycarbonyl Group SCHEMBL27626855 | 0.88 | GABRA1 (0.33) | — | |
| Ethoxycarbonyl Group SCHEMBL28808107 | 0.82 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27333564 | 0.82 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28100825 | 0.82 | — | — | |
| Ethoxycarbonyl Group SCHEMBL3225173 | 0.81 | — | — | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.81 | — | — |
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-105814054-A | Fused imidazole and pyrazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |