⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22988 | 0.73 | — | — | |
| SCHEMBL2019340 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL101280 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1444802 | 0.71 | — | — | |
| Ethylene SCHEMBL11309737 | 0.71 | — | — | |
| SCHEMBL29037934 | 0.71 | — | — | |
| SCHEMBL11501255 | 0.69 | — | — | |
| SCHEMBL10554896 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL1794156 | 0.69 | — | — | |
| SCHEMBL9335555 | 0.69 | ALDH1A1 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0665216-B1 | Urea derivatives and their use as acat inhibitors | NISSHIN FLOUR MILLING CO (JP) | 1997-12-29 | — | — | EP | disclosed |
| US-5576335-A | TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1996-11-19 | — | — | US | disclosed |
| EP-0665216-A1 | Urea derivatives and their use as acat inhibitors | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1995-08-02 | — | — | EP | disclosed |