⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21825776 | 0.87 | — | — | |
| SCHEMBL21825774 | 0.87 | — | — | |
| SCHEMBL1338762 | 0.86 | MEN1 (0.56) | — | |
| SCHEMBL1338765 | 0.86 | MEN1 (0.56) | — | |
| SCHEMBL2221193 | 0.86 | — | — | |
| SCHEMBL12245522 | 0.85 | — | — | |
| SCHEMBL6708480 | 0.85 | — | — | |
| SCHEMBL771298 | 0.85 | — | — | |
| SCHEMBL21825814 | 0.82 | — | — | |
| SCHEMBL5901470 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4382527-A1 | AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) | 2024-06-12 | — | — | EP | disclosed |
| CN-117769548-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| WO-2023011574-A1 | AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2023011574-A1 | AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |