⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22875510 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL2076271 | 0.76 | — | — | |
| SCHEMBL3863230 | 0.76 | — | — | |
| SCHEMBL2076270 | 0.76 | — | — | |
| SCHEMBL17875359 | 0.69 | — | — | |
| SCHEMBL9007921 | 0.69 | — | — | |
| SCHEMBL21077698 | 0.67 | — | — | |
| SCHEMBL11394569 | 0.67 | — | — | |
| SCHEMBL11394571 | 0.67 | — | — | |
| SCHEMBL383294 | 0.65 | — | — |
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-20090326280-A1 | Systems and Methods for the Preparation of Alkyl Aryl Ethers | FUTUREFUEL CHEMICAL COMPANY | 2009-12-31 | — | — | US | disclosed |