⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28021367 | 0.95 | — | — | |
| Methane SCHEMBL525613 | 0.91 | — | — | |
| SCHEMBL22634 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7630001 | 0.80 | — | — | |
| SCHEMBL5961103 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL23581440 | 0.80 | — | — | |
| Ethane SCHEMBL28549872 | 0.80 | — | — | |
| SCHEMBL2802260 | 0.80 | — | — | |
| Bromide SCHEMBL10572728 | 0.80 | — | — | |
| SCHEMBL27973088 | 0.80 | — | — |
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-113966360-A | Compositions comprising silylated polymers | 亨茨曼国际有限公司 | 2022-01-21 | — | — | CN | disclosed |