⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13030889 | 0.77 | — | — | |
| SCHEMBL3706930 | 0.75 | ALDH1A1 (0.52) | — | |
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.74 | USP2 (0.75) | — | |
| SCHEMBL13661632 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL17023251 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL1934930 | 0.70 | — | — | |
| SCHEMBL2065150 | 0.70 | — | — | |
| Dimethylamine SCHEMBL17003975 | 0.70 | USP2 (0.52) | — | |
| Improsulfan SCHEMBL8954 | 0.70 | USP2 (0.67) | — | |
| SCHEMBL21131963 | 0.70 | TSHR (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026395-B1 | Process for the synthesis of anti-neoplasia agent VNP40101M | NANOTHERAPEUTICS, INC. (US) | 2011-09-27 | — | — | US | disclosed |