⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4724 | 0.96 | — | — | |
| SCHEMBL27711501 | 0.93 | — | — | |
| Fluoride SCHEMBL27602924 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28795174 | 0.93 | — | — | |
| SCHEMBL17090832 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL502669 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL17090826 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL235247 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL502963 | 0.83 | TSHR (0.53) | — | |
| SCHEMBL9658795 | 0.83 | TSHR (0.53) | — |
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-102459231-A | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2012-05-16 | — | — | CN | disclosed |