⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL889473 | 1.00 | — | — | |
| Acetaldehyde SCHEMBL557459 | 0.78 | — | — | |
| Acetaldehyde SCHEMBL1330497 | 0.72 | — | — | |
| SCHEMBL16550695 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL6747 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL1331732 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL20411618 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL3945841 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL2338299 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL25291303 | 0.67 | — | — |
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-8563777-B2 | Ionizable isotopic labeling reagents for relative quantification by mass spectrometry | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-10-22 | — | — | US | disclosed |
| US-20120022230-A1 | IONIZABLE ISOTOPIC LABELING REAGENTS FOR RELATIVE QUANTIFICATION BY MASS SPECTROMETRY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-01-26 | — | — | US | disclosed |
| US-7982070-B2 | Ionizable isotopic labeling reagents for relative quantification by mass spectrometry | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-07-19 | — | — | US | disclosed |