⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2581093 | 0.85 | — | — | |
| SCHEMBL16975151 | 0.76 | — | — | |
| SCHEMBL21722126 | 0.76 | — | — | |
| SCHEMBL8635139 | 0.76 | — | — | |
| SCHEMBL4388794 | 0.76 | — | — | |
| SCHEMBL14109108 | 0.74 | CYP1A2 (0.38) | — | |
| SCHEMBL14108975 | 0.74 | CYP1A2 (0.38) | — | |
| SCHEMBL9213223 | 0.74 | — | — | |
| SCHEMBL646385 | 0.74 | — | — | |
| SCHEMBL8676104 | 0.73 | SIGMAR1 (0.39) | — |
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-1582286-A | Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same | KYORIN SEIYAKU KK (JP) | 2005-02-16 | — | — | CN | disclosed |