⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28623543 | 1.00 | — | — | |
| SCHEMBL29728550 | 0.85 | LMNA (0.48) | — | |
| SCHEMBL745345 | 0.82 | — | — | |
| SCHEMBL14627140 | 0.82 | — | — | |
| Pentabamate SCHEMBL636717 | 0.80 | LMNA (0.44) | — | |
| SCHEMBL27988788 | 0.79 | — | — | |
| SCHEMBL29924875 | 0.79 | LMNA (0.40) | — | |
| SCHEMBL420625 | 0.78 | — | — | |
| SCHEMBL18043494 | 0.78 | — | — | |
| SCHEMBL8755732 | 0.78 | — | — |
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-113166101-A | Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders | 诺华股份有限公司 | 2021-07-23 | — | — | CN | disclosed |