⚠ 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL453 | 0.93 | — | — | |
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.93 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.93 | ALDH1A1 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL3767822 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL4412187 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5482235 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL1653351 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL374751 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28226609 | 0.90 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27029856 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000009575-A1 | PROCESS FOR MAKING ACETALS | CATALYTIC DISTILLATION TECHNOLOGIES (US) | 2000-02-24 | — | — | WO | disclosed |
| US-6015875-A | Process for making acetals | CATALYTIC DISTILLATION TECHNOLOGIES (US) | 2000-01-18 | — | — | US | disclosed |