⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL266764 | 0.95 | — | — | |
| SCHEMBL30959718 | 0.90 | — | — | |
| SCHEMBL25354322 | 0.90 | — | — | |
| SCHEMBL28945780 | 0.90 | — | — | |
| Magnesium SCHEMBL29623906 | 0.90 | — | — | |
| SCHEMBL2459778 | 0.84 | — | — | |
| Tetramethylammonium Ion SCHEMBL28611264 | 0.79 | CHRNB2 (0.31) | — | |
| Potassium SCHEMBL30146752 | 0.79 | THRB (0.30) | — | |
| SCHEMBL31082798 | 0.76 | — | — | |
| SCHEMBL31085539 | 0.76 | — | — |
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-115667198-A | Perfluorinated allyl ethers and perfluorinated allylamines and methods of making and using the same | 3M创新有限公司 | 2023-01-31 | — | — | CN | disclosed |