⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL363775 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL2755795 | 0.77 | SOAT1 (0.33) | — | |
| SCHEMBL24702088 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL5707313 | 0.77 | — | — | |
| SCHEMBL25805147 | 0.72 | — | — | |
| SCHEMBL4613880 | 0.70 | — | — | |
| SCHEMBL5006540 | 0.70 | — | — | |
| SCHEMBL4813924 | 0.70 | EPHX1 (0.36) | — | |
| SCHEMBL28042370 | 0.69 | — | — | |
| SCHEMBL10096790 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6206877-A | — | — | None | — | — | JP | disclosed |
| JP-2007314665-A | VINYL ETHER DERIVATIVE POLYMER, METHOD FOR PRODUCING THE SAME, AND USE THEREOF | NIPPON CARBIDE IND CO INC | 2007-12-06 | — | — | JP | disclosed |
| JP-H06206877-A | 2-METHYL-5-ETHYL-5-VINYLOXYMETHYL-1,3-DIOXANE | NIPPON CARBIDE IND CO INC | 1994-07-26 | — | — | JP | disclosed |