⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11779943 | 0.91 | — | — | |
| SCHEMBL5822320 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL275362 | 0.85 | TSHR (0.35) | — | |
| Sulfuric Acid SCHEMBL27839092 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL18169480 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27751563 | 0.75 | — | — | |
| SCHEMBL11180150 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL3814703 | 0.72 | — | — | |
| SCHEMBL11419209 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL13452896 | 0.72 | FDPS (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4229433-A | HOMO- OR COPOLYMER OF A DIALLYLAMINE SALT OR A DIALLYL QUATERNARY AMMONIUM DERIVATIVE | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1980-10-21 | — | — | US | disclosed |