⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31125014 | 0.77 | — | — | |
| SCHEMBL25173375 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL31531424 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL2986172 | 0.73 | — | — | |
| SCHEMBL31125024 | 0.73 | — | — | |
| SCHEMBL25172593 | 0.72 | — | — | |
| SCHEMBL24525703 | 0.71 | ADRA2A (0.43) | — | |
| SCHEMBL321000 | 0.70 | — | — | |
| SCHEMBL25172733 | 0.70 | — | — | |
| SCHEMBL189938 | 0.69 | ALDH1A1 (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025093590-A1 | HETEROARYL ESTER DERIVATIVES AS SODIUM CHANNEL INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2025-05-08 | — | — | WO | disclosed |
| CN-106699744-B | Heterocyclic amide derivative, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-106699744-A | Heterocyclic acylamide derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-05-24 | — | — | CN | disclosed |