⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4913046 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL11703431 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL30450046 | 0.74 | — | — | |
| SCHEMBL3754817 | 0.73 | — | — | |
| Trichloroacetic Acid SCHEMBL10888356 | 0.72 | TSHR (0.50) | — | |
| Malonic Acid SCHEMBL28232125 | 0.70 | TSHR (0.77) | — | |
| SCHEMBL9814452 | 0.69 | ACLY (0.40) | — | |
| Chloroacetic Acid SCHEMBL8439813 | 0.67 | TSHR (0.59) | — | |
| SCHEMBL9187846 | 0.67 | — | — | |
| Malonic Acid SCHEMBL28216714 | 0.66 | LDHA (0.75) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997019934-A1 | QUINOXALINE COMPOUNDS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND A PROCESS FOR THE PREPARATION THEREOF | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1997-06-05 | — | — | WO | disclosed |
| EP-0532564-B1 | PLANT-PROTECTING SUBSTITUTED ISOXAZOLINES, ISOXAZOLES, ISOTHIAZOLINES AND ISOTHIAZOLES, PROCESS FOR PRODUCING THEM AND THEIR USE | HOECHST SCHERING AGREVO GMBH (DE) | 1995-08-09 | — | — | EP | disclosed |
| EP-0532564-A1 | PLANT-PROTECTING SUBSTITUTED ISOXAZOLINES, ISOXAZOLES, ISOTHIAZOLINES AND ISOTHIAZOLES, PROCESS FOR PRODUCING THEM AND THEIR USE. | HOECHST AG (DE) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991018907-A1 | PLANT-PROTECTING SUBSTITUTED ISOXAZOLINES, ISOXAZOLES, ISOTHIAZOLINES AND ISOTHIAZOLES, PROCESS FOR PRODUCING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-12-12 | — | — | WO | disclosed |