⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1145734 | 0.75 | CA1 (0.50) | — | |
| SCHEMBL1263886 | 0.73 | — | — | |
| SCHEMBL19170056 | 0.72 | CYP2D6 (0.42) | — | |
| SCHEMBL11572686 | 0.71 | — | — | |
| SCHEMBL11235053 | 0.71 | — | — | |
| SCHEMBL1012552 | 0.71 | — | — | |
| SCHEMBL1012551 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL8718737 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL48208 | 0.71 | — | — | |
| SCHEMBL12832601 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725683-B2 | Surfactants and methods of making and using same | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2017-08-08 | — | — | US | disclosed |
| US-20170114308-A1 | SURFACTANTS AND METHODS OF MAKING AND USING SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2017-04-27 | — | — | US | disclosed |
| US-20110237824-A1 | Process for Producing Fluoroalkylsulfonylaminoethyl Alpha-Substituted-Acrylate | CENTRAL GLASS COMPANY, LIMITED (JP) | 2011-09-29 | — | — | US | disclosed |