⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL11571948 | 1.00 | TSHR (0.50) | — | |
| Hydrogen Sulfide SCHEMBL21352279 | 1.00 | TSHR (0.50) | — | |
| Water SCHEMBL20553268 | 0.95 | — | — | |
| SCHEMBL8852489 | 0.94 | TSHR (0.54) | — | |
| SCHEMBL23732 | 0.94 | — | — | |
| SCHEMBL23116592 | 0.89 | — | — | |
| Phosphine SCHEMBL20503111 | 0.89 | — | — | |
| SCHEMBL22711591 | 0.89 | — | — | |
| SCHEMBL31427576 | 0.89 | — | — | |
| SCHEMBL8523341 | 0.89 | — | — |
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-109862873-B | Suspension composition | 爱客多有限公司 | 2024-03-08 | — | — | CN | disclosed |