⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27997655 | 0.75 | — | — | |
| SCHEMBL8744844 | 0.75 | — | — | |
| Lithium SCHEMBL31514328 | 0.73 | — | — | |
| SCHEMBL27313882 | 0.73 | — | — | |
| SCHEMBL5953045 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL5953042 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL11681418 | 0.69 | — | — | |
| SCHEMBL74779 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL271027 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL221749 | 0.68 | ALDH1A1 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3025716-B1 | SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN | SHANGHAI INST BIOLOGICAL SCIENCES CAS (CN) | 2018-04-04 | — | — | EP | disclosed |
| EP-3025716-A1 | SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN | Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) | 2016-06-01 | — | — | EP | disclosed |
| US-20150374705-A1 | Substances for treatment or relief of pain | Shanghai Institues for Biological Sciences (CN) | 2015-12-31 | — | — | US | disclosed |
| CN-101723941-A | “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator | ASTRAZENECA AB | 2010-06-09 | — | — | CN | disclosed |
| CN-1894241-A | \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | disclosed |
| CN-1691944-A | Oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2005-11-02 | — | — | CN | disclosed |
| CN-1149213-C | Substituted benzoylisoxazoles and the use thereof as herbicides | — | 2004-05-12 | — | — | CN | disclosed |
| US-5332715-A | Herbicides | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-07-26 | — | — | US | disclosed |