⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148907 | 0.93 | — | — | |
| SCHEMBL28373841 | 0.86 | — | — | |
| SCHEMBL10355564 | 0.86 | — | — | |
| Iodide SCHEMBL30883306 | 0.86 | — | — | |
| SCHEMBL11433982 | 0.86 | — | — | |
| SCHEMBL542912 | 0.86 | — | — | |
| SCHEMBL7931925 | 0.86 | — | — | |
| SCHEMBL3287689 | 0.86 | — | — | |
| SCHEMBL11457243 | 0.80 | — | — | |
| Cyclohexane SCHEMBL3231517 | 0.76 | CES2 (0.35) | — |
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-114524729-B | Application of carbon-supported monoatomic Pd catalyst in alkyne carbonylation reaction | 中国科学院大连化学物理研究所 | 2024-06-11 | — | — | CN | disclosed |
| CN-114524729-A | Application of carbon-supported monatomic Pd catalyst in alkyne carbonylation reaction | 中国科学院大连化学物理研究所 | 2022-05-24 | — | — | CN | disclosed |