⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27411645 | 0.90 | TSHR (0.71) | — | |
| Alcohol SCHEMBL15154032 | 0.90 | TSHR (0.81) | — | |
| Ethylene Glycol SCHEMBL28157505 | 0.90 | TSHR (0.71) | — | |
| Alcohol SCHEMBL8019168 | 0.90 | TSHR (0.81) | — | |
| Methyl Alcohol SCHEMBL10493953 | 0.90 | — | — | |
| SCHEMBL9285670 | 0.89 | TSHR (0.92) | — | |
| Hexane SCHEMBL8845002 | 0.89 | TSHR (0.92) | — | |
| SCHEMBL3164 | 0.89 | — | — | |
| SCHEMBL276808 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL28412996 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063824-A1 | NITROXOLINE PRODRUG AND USE THEREOF | 江苏亚虹医药科技有限公司 | 2020-04-02 | — | — | WO | disclosed |