⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9734254 | 0.87 | — | — | |
| SCHEMBL23567295 | 0.86 | — | — | |
| SCHEMBL23567274 | 0.85 | ACHE (0.33) | — | |
| SCHEMBL23567278 | 0.84 | CYP1A2 (0.30) | — | |
| SCHEMBL23567296 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL23567316 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL23567213 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL23567251 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL23567263 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL23567231 | 0.82 | CYP1A2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024359-B | Process for preparing alkoxymethyl alkynyl ether compounds having terminal triple bonds | 信越化学工业株式会社 | 2024-06-11 | — | — | CN | disclosed |
| EP-3842406-B1 | PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND | SHINETSU CHEMICAL CO (JP) | 2023-10-11 | — | — | EP | disclosed |
| US-11384041-B2 | Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-07-12 | — | — | US | disclosed |
| US-20210198172-A1 | PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-07-01 | — | — | US | disclosed |
| EP-3842406-A1 | PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-06-30 | — | — | EP | disclosed |
| CN-113024359-A | Method for producing alkoxymethyl alkynyl ether compounds having terminal triple bond | 信越化学工业株式会社 | 2021-06-25 | — | — | CN | disclosed |