⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8185995 | 0.89 | TSHR (0.50) | — | |
| Oxirane SCHEMBL23051683 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL23051687 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL28825811 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL28677840 | 0.80 | ALDH1A1 (0.55) | — | |
| SCHEMBL10439670 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL6940585 | 0.79 | — | — | |
| SCHEMBL1905372 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL2925049 | 0.77 | TSHR (0.56) | — | |
| SCHEMBL2152930 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113563189-B | One-step method for efficiently catalyzing CO 2 Method for converting dimethyl carbonate catalyst | 沈阳化工大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-115108912-A | Strongly alkaline ionic liquid catalyzed CO 2 Method for synthesizing dimethyl carbonate catalyst | 沈阳化工大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-113563189-A | One-step method for efficiently catalyzing CO2Method for converting dimethyl carbonate catalyst | 沈阳化工大学 | 2021-10-29 | — | — | CN | disclosed |
| EP-1537063-B2 | CATALYTIC CONVERSION OF AN ORGANIC CARBONATE | SHELL INT RESEARCH (NL) | 2013-03-20 | — | — | EP | disclosed |
| EP-1537063-B1 | CATALYTIC CONVERSION OF AN ORGANIC CARBONATE | SHELL INT RESEARCH (NL) | 2010-10-27 | — | — | EP | disclosed |
| EP-1537063-A1 | CATALYTIC CONVERSION OF AN ORGANIC CARBONATE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2005-06-08 | — | — | EP | disclosed |
| US-6835858-B1 | Contacting the organic carbonate with an alcohol and/or water in the presence of a zinc supported catalyst to form the corresponding alcohol | SHELL OIL COMPANY | 2004-12-28 | — | — | US | disclosed |
| WO-2004024658-A1 | CATALYTIC CONVERSION OF AN ORGANIC CARBONATE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-03-25 | — | — | WO | disclosed |