⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28642630 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL28646564 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL28638530 | 0.82 | HTT (0.41) | — | |
| SCHEMBL28651818 | 0.82 | USP2 (0.30) | — | |
| SCHEMBL28640897 | 0.80 | HTT (0.42) | — | |
| SCHEMBL28646470 | 0.79 | HTT (0.33) | — | |
| SCHEMBL31106177 | 0.78 | — | — | |
| SCHEMBL28727768 | 0.77 | LPAR1 (0.33) | — | |
| SCHEMBL8934474 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL11995923 | 0.76 | ALDH1A1 (0.43) | — |
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-113443971-A | Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom | 信越化学工业株式会社 | 2021-09-28 | — | — | CN | disclosed |