⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20079151 | 0.92 | — | — | |
| SCHEMBL3421488 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3415545 | 0.77 | — | — | |
| SCHEMBL6004986 | 0.74 | — | — | |
| SCHEMBL6005123 | 0.74 | — | — | |
| SCHEMBL20799638 | 0.65 | — | — | |
| SCHEMBL20623040 | 0.63 | CXCR4 (0.35) | — | |
| SCHEMBL620964 | 0.61 | — | — | |
| SCHEMBL446743 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL1190430 | 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-117447422-A | Synthesis method of hydrogenation Huang Yuansu | 兰州欣昊益精细化工有限公司 | 2024-01-26 | — | — | CN | disclosed |