⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL6251968 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL2855180 | 0.88 | ALDH1A1 (0.36) | — | |
| Methane SCHEMBL6250798 | 0.85 | ALDH1A1 (0.35) | — | |
| Cyclohexane SCHEMBL6254769 | 0.83 | ALDH1A1 (0.33) | — | |
| Octane SCHEMBL11676459 | 0.83 | ALDH1A1 (0.54) | — | |
| Benzene SCHEMBL8847070 | 0.81 | TDP1 (0.39) | — | |
| Propene SCHEMBL6264779 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL7178725 | 0.79 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL6252497 | 0.79 | — | — | |
| SCHEMBL10801123 | 0.79 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1306370-B1 | Dithiocarbamates containing alkylthio and hydroxy substituents | AFTON CHEMICAL INTANGIBLES LLC (US) | 2005-09-07 | — | — | EP | claimed |