⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL808427 | 0.87 | TSHR (0.42) | — | |
| SCHEMBL1012238 | 0.84 | CDK1 (0.36) | — | |
| SCHEMBL7712111 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL16275184 | 0.79 | DNM1 (0.48) | — | |
| SCHEMBL18270714 | 0.77 | DNM1 (0.52) | — | |
| SCHEMBL14975586 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL1053701 | 0.76 | — | — | |
| SCHEMBL8154483 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL19668160 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL15510719 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105753663-B | A kind of preparation method of butoxymethoxy methane | 沈阳化工大学 | 2018-10-12 | — | — | CN | disclosed |
| CN-105753664-B | A kind of method for synthesizing butoxymethoxy methane | 沈阳化工大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-105837414-B | A kind of method of synthesizing butyl cellosolve | 沈阳化工大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-105837414-A | Method for synthesizing butoxy methoxy methane used in ethylene glycol monobutyl ether approach | 沈阳化工大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105753664-A | Method for synthesizing butoxy methoxymethane | 沈阳化工大学 | 2016-07-13 | — | — | CN | disclosed |
| CN-105753663-A | Method for preparing butoxy methoxy methane | 沈阳化工大学 | 2016-07-13 | — | — | CN | disclosed |
| US-5631308-A | SELF-POLISHING METALLIZED COPOLYMER | KOREA CHEMICAL CO., LTD. (KR) | 1997-05-20 | — | — | US | disclosed |