⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1450489 | 0.84 | — | — | |
| SCHEMBL17769312 | 0.80 | HSD17B10 (0.40) | — | |
| SCHEMBL28613743 | 0.78 | — | — | |
| SCHEMBL6323620 | 0.78 | — | — | |
| SCHEMBL1332928 | 0.76 | — | — | |
| SCHEMBL3485216 | 0.76 | HSD17B10 (0.37) | — | |
| SCHEMBL1332926 | 0.76 | — | — | |
| SCHEMBL30558029 | 0.76 | — | — | |
| SCHEMBL1032998 | 0.75 | — | — | |
| SCHEMBL11606725 | 0.74 | MEN1 (0.55) | — |
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-109721474-A | Method for synthesizing dichloroethyl ether and 2-chloroethoxy ethanol | 中国石油天然气股份有限公司 | 2019-05-07 | — | — | CN | disclosed |