⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27495583 | 0.82 | — | — | |
| SCHEMBL780 | 0.82 | — | — | |
| SCHEMBL29940263 | 0.82 | — | — | |
| Methylamine SCHEMBL737651 | 0.77 | — | — | |
| SCHEMBL8778140 | 0.73 | — | — | |
| SCHEMBL1493171 | 0.73 | — | — | |
| Phosphine SCHEMBL63647 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL21987862 | 0.73 | — | — | |
| SCHEMBL8407772 | 0.73 | — | — | |
| SCHEMBL64817 | 0.73 | — | — |
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-109305869-A | A kind of carborane propellant and preparation method thereof | 湖北航天化学技术研究所 | 2019-02-05 | — | — | CN | disclosed |