⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21557029 | 0.91 | — | — | |
| SCHEMBL21401881 | 0.91 | — | — | |
| SCHEMBL170626 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2713845 | 0.87 | — | — | |
| Hydrazine SCHEMBL28063266 | 0.87 | — | — | |
| SCHEMBL2282277 | 0.70 | — | — | |
| SCHEMBL21961646 | 0.70 | — | — | |
| SCHEMBL6156522 | 0.70 | — | — | |
| Chlorethanamine SCHEMBL4944269 | 0.70 | — | — | |
| SCHEMBL13745879 | 0.67 | — | — |
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-106536697-B | Fabric and home care treatment compositions | 宝洁公司 | 2020-06-26 | — | — | CN | disclosed |