⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL1943308 | 0.82 | — | — | |
| Fluoride SCHEMBL781 | 0.82 | — | — | |
| Fluoride SCHEMBL8338747 | 0.82 | — | — | |
| SCHEMBL43120 | 0.82 | — | — | |
| Fluoride SCHEMBL2393843 | 0.82 | — | — | |
| Fluoride SCHEMBL48191 | 0.82 | — | — | |
| SCHEMBL89217 | 0.82 | — | — | |
| Fluoride SCHEMBL33573 | 0.82 | — | — | |
| Fluoride SCHEMBL10775686 | 0.82 | — | — | |
| SCHEMBL8580870 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103183673-B | The synthetic method of (S, S)-2,8-diazabicyclo [4,3,0] nonane | 浙江新和成股份有限公司 | 2016-09-14 | — | — | CN | claimed |
| 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 |