⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10299587 | 0.83 | — | — | |
| SCHEMBL13819837 | 0.83 | — | — | |
| SCHEMBL64897 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9784988 | 0.80 | — | — | |
| SCHEMBL28643404 | 0.80 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL9759307 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9759303 | 0.80 | — | — | |
| Isoamylamine SCHEMBL28474021 | 0.78 | GABRR1 (0.32) | — | |
| Propylamine SCHEMBL3969891 | 0.74 | DNM1 (0.35) | — | |
| Ethylenediamine SCHEMBL9857117 | 0.72 | DNM1 (0.33) | — |
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-106459362-B | Silylated polyurethanes | 亨茨曼国际有限公司 | 2020-10-13 | — | — | CN | disclosed |