⚠ 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 | |
|---|---|---|---|---|
| Tetraethylene Glycol SCHEMBL28577859 | 0.96 | MEN1 (0.85) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL27518304 | 0.92 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL2410410 | 0.91 | TSHR (1.00) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL1462 | 0.91 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL11310542 | 0.88 | TSHR (0.77) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL7095334 | 0.88 | TSHR (0.77) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL11143389 | 0.88 | TSHR (0.77) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL19462791 | 0.87 | — | — | |
| SCHEMBL5135405 | 0.87 | MEN1 (1.00) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL9850534 | 0.87 | TSHR (0.91) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11012013-A | — | — | None | — | — | JP | disclosed |
| JP-2010100472-A | CEMENT ADMIXTURE AND CEMENT COMPOSITION | DENKI KAGAKU KOGYO KK | 2010-05-06 | — | — | JP | disclosed |
| JP-H1112013-A | CEMENT MIXTURE OF LOW SELFCONTRACTILITY AND METHOD FOR LOWERING SELF-CONTRACTILITY OF SET CEMENT | SUMITOMO OSAKA CEMENT CO LTD | 1999-01-19 | — | — | JP | disclosed |