⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6422280 | 0.77 | — | — | |
| Phosphine SCHEMBL10641770 | 0.74 | — | — | |
| SCHEMBL28938668 | 0.73 | — | — | |
| SCHEMBL9011647 | 0.73 | — | — | |
| Acetaldehyde SCHEMBL27736225 | 0.73 | — | — | |
| SCHEMBL3721677 | 0.72 | — | — | |
| SCHEMBL9011798 | 0.72 | — | — | |
| SCHEMBL9011654 | 0.72 | — | — | |
| SCHEMBL8636252 | 0.71 | — | — | |
| SCHEMBL14609417 | 0.71 | — | — |
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-104672192-B | Isoflavones amide derivatives, its preparation method and medical usage | 中国药科大学 | 2017-07-28 | — | — | CN | disclosed |
| CN-104672192-A | Derivatives of isoflavones amides, as well as preparation method and medical application of derivatives | UNIV CHINA PHARMA | 2015-06-03 | — | — | CN | disclosed |