⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38085 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2328420 | 0.87 | — | — | |
| Water SCHEMBL28091835 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28905030 | 0.87 | — | — | |
| Benzene SCHEMBL27704544 | 0.85 | — | — | |
| SCHEMBL1727787 | 0.82 | GSK3A (0.46) | — | |
| Pyrrole SCHEMBL2280196 | 0.80 | — | — | |
| SCHEMBL3695978 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL28123766 | 0.78 | FGFR1 (0.32) | — | |
| SCHEMBL28162491 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906644-B | A kind of furyl glycidol ether and its synthetic method and application | 中国科学院宁波材料技术与工程研究所 | 2018-02-23 | — | — | CN | disclosed |