⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55546 | 0.95 | — | — | |
| Water SCHEMBL2470684 | 0.90 | — | — | |
| SCHEMBL28313602 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8350493 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL2263921 | 0.90 | — | — | |
| Propane SCHEMBL10862780 | 0.90 | — | — | |
| SCHEMBL28089342 | 0.90 | — | — | |
| Butane SCHEMBL4020063 | 0.86 | — | — | |
| Methylhydrazine SCHEMBL28186954 | 0.86 | — | — | |
| Dimethylamine SCHEMBL10855836 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110441341-A | The detection method of sulphur, chlorinity in a kind of 2- ethyl hydrazine | HUZHOU JICHANG CHEMICAL CO LTD | 2019-11-12 | — | — | CN | disclosed |