⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28289 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL29382225 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL21296567 | 0.77 | HSPA5 (0.46) | — | |
| SCHEMBL22810499 | 0.74 | — | — | |
| SCHEMBL5598908 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL28853138 | 0.72 | PNMT (0.50) | — | |
| SCHEMBL2802004 | 0.72 | PNMT (0.50) | — | |
| SCHEMBL939264 | 0.72 | — | — | |
| SCHEMBL8003750 | 0.72 | — | — | |
| SCHEMBL8013197 | 0.72 | — | — |
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-6031066-A | POLYMERIZING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID ESTER CONTAINING A TERTIARY AMINO GROUP AS A POLYMERIZABLE MONOMER IN THE PRESENCE OF A PHOSPHORUS COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-02-29 | — | — | US | disclosed |