⚠ 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 | |
|---|---|---|---|---|
| Isobutyraldehyde SCHEMBL27618179 | 0.89 | — | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.83 | — | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.83 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.83 | — | — | |
| Isobutyraldehyde SCHEMBL9411675 | 0.83 | ALDH1A1 (0.35) | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.83 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL28576674 | 0.80 | — | — | |
| Isobutyraldehyde SCHEMBL9350918 | 0.80 | — | — | |
| Isobutyraldehyde SCHEMBL5396003 | 0.79 | — | — | |
| Isobutyraldehyde SCHEMBL9351587 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090120571-A1 | Heat-sealable label | RASMUSSEN MAX OTTO HENRI | 2009-05-14 | — | — | US | disclosed |
| EP-1879751-A1 | A HEAT-SEALABLE LABEL | Rasmussen, Max Otto Henri (DK) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006119765-A1 | A HEAT-SEALABLE LABEL | RASMUSSEN MAX OTTO HENRI (DK) | 2006-11-16 | — | — | WO | disclosed |