⚠ 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 | |
|---|---|---|---|---|
| Pentanal SCHEMBL622584 | 0.94 | TSHR (1.00) | — | |
| Pentanal SCHEMBL28721 | 0.94 | — | — | |
| Hexanal SCHEMBL27897439 | 0.91 | — | — | |
| Pentanal SCHEMBL7624050 | 0.90 | — | — | |
| Pentanal SCHEMBL11434933 | 0.90 | — | — | |
| Pentanal SCHEMBL11299036 | 0.90 | — | — | |
| Pentanal SCHEMBL5172697 | 0.90 | — | — | |
| Pentanal SCHEMBL1628430 | 0.90 | — | — | |
| Pentanal SCHEMBL4430016 | 0.90 | — | — | |
| Pentanal SCHEMBL24385 | 0.90 | — | — |
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-115739098-A | Catalyst and preparation method and application thereof | 中国科学院山西煤炭化学研究所 | 2023-03-07 | — | — | CN | disclosed |