⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3975519 | 0.80 | — | — | |
| Acetic Acid SCHEMBL5073356 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL21078218 | 0.75 | ALOX15 (0.31) | — | |
| SCHEMBL27337078 | 0.75 | GAA (0.35) | — | |
| SCHEMBL15116489 | 0.74 | — | — | |
| SCHEMBL10999225 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL10071035 | 0.72 | — | — | |
| Acetic Acid SCHEMBL28496086 | 0.72 | ALDH1A1 (0.38) | — | |
| Acetone SCHEMBL3131149 | 0.70 | ALDH1A1 (0.41) | — | |
| Acetic Acid SCHEMBL9771962 | 0.70 | FFAR3 (0.41) | — |
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-108250088-A | The preparation method of the double amino-ethyl ethers of N, N, N`- trimethyl-N`- ethoxys | 四川之江高新材料股份有限公司 | 2018-07-06 | — | — | CN | disclosed |