⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28738277 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL3658647 | 0.68 | NPSR1 (0.33) | — | |
| SCHEMBL27395388 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL28064835 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL7013998 | 0.63 | — | — | |
| SCHEMBL20807519 | 0.62 | CYP4F2 (0.65) | — | |
| SCHEMBL5800447 | 0.60 | MEN1 (0.32) | — | |
| SCHEMBL6588622 | 0.60 | NPSR1 (0.33) | — | |
| SCHEMBL11157042 | 0.59 | CYP4F2 (0.40) | — | |
| SCHEMBL7328318 | 0.58 | KMT2A (0.31) | — |
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-110511220-A | As the para diaminobenzene derivative of potassium channel modulating agents, preparation method and its application in medicine | SHANGHAI ZHIMENG PHARMACEUTICAL TECH CO LTD | 2019-11-29 | — | — | CN | disclosed |