⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL27818963 | 0.94 | — | — | |
| Dioxane SCHEMBL29287389 | 0.82 | — | — | |
| SCHEMBL3137720 | 0.82 | TTR (1.00) | — | |
| SCHEMBL78595 | 0.82 | TTR (1.00) | — | |
| SCHEMBL6057268 | 0.82 | TTR (1.00) | — | |
| SCHEMBL11207601 | 0.82 | TTR (1.00) | — | |
| SCHEMBL16041435 | 0.82 | TTR (1.00) | — | |
| SCHEMBL3137753 | 0.82 | TTR (1.00) | — | |
| Dioxane SCHEMBL3631647 | 0.82 | TTR (1.00) | — | |
| Dioxane SCHEMBL9836999 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115137963-B | Method for preparing microneedle patch by room-temperature 3D printing self-sustaining microneedle | 南京大学 | 2023-08-08 | — | — | CN | disclosed |
| US-4460766-A | DIMETHOXYETHANE | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-07-17 | — | — | US | disclosed |