⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28466983 | 0.76 | CHRM3 (0.35) | — | |
| SCHEMBL9957230 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL10398578 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL3275918 | 0.66 | — | — | |
| SCHEMBL29868840 | 0.62 | SLC6A3 (0.49) | — | |
| SCHEMBL29008433 | 0.61 | — | — | |
| SCHEMBL29386798 | 0.60 | — | — | |
| SCHEMBL4513227 | 0.60 | THRB (0.37) | — | |
| SCHEMBL875287 | 0.59 | — | — | |
| SCHEMBL29236046 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232314-A | A kind of synthetic method of polysubstituted 2- cyclopentenyl ethyl acetate class compound | 河南理工大学 | 2019-01-18 | — | — | CN | disclosed |