⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL356881 | 0.79 | — | — | |
| SCHEMBL18570135 | 0.75 | MGLL (0.35) | — | |
| Hydrochloric Acid SCHEMBL9854929 | 0.75 | — | — | |
| SCHEMBL12416861 | 0.75 | MGLL (0.35) | — | |
| SCHEMBL908138 | 0.75 | — | — | |
| SCHEMBL2253038 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4555855 | 0.72 | — | — | |
| SCHEMBL347420 | 0.67 | — | — | |
| Cyclopropane SCHEMBL4741676 | 0.67 | — | — | |
| Cyclopentane SCHEMBL17044555 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101333219-B | Penem derivates with mercapto pyrrolidine formamide benzene alkyl heterocycle | SHANDONG XUANZHU PHARM TECH CO | 2010-10-13 | — | — | CN | disclosed |
| CN-101333219-A | Penem derivates with mercapto pyrrolidine formamide benzene alkyl heterocycle | SHANDONG XUANZHU MEDICAL SCI T (CN) | 2008-12-31 | — | — | CN | disclosed |