⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1109078 | 0.73 | — | — | |
| SCHEMBL338317 | 0.65 | — | — | |
| SCHEMBL17709338 | 0.65 | — | — | |
| SCHEMBL21283635 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL25222960 | 0.63 | — | — | |
| SCHEMBL8070120 | 0.62 | — | — | |
| SCHEMBL330407 | 0.62 | — | — | |
| SCHEMBL1301286 | 0.62 | — | — | |
| Tert-Butanol SCHEMBL816081 | 0.60 | — | — | |
| SCHEMBL377192 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11597745-B2 | β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2023-03-07 | — | — | US | disclosed |
| US-20210284679-A1 | ß-Modified Phosphoric Acid Compound Precursor, ß-Modified Phosphoric Acid Compound, Reaction Inhibitor and Medicine Containing the Same, and Method for Inhibiting Reaction | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2021-09-16 | — | — | US | disclosed |