⚠ 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 | |
|---|---|---|---|---|
| 1,2-Dichloroethane SCHEMBL127 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL4584447 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL19182749 | 0.91 | TSHR (1.00) | — | |
| 1,2-Dichloroethane SCHEMBL6233635 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL5324114 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL8633157 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL546582 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL7267024 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL611530 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL11306061 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107780987-A | Turbine suitably a variety of working medium plasma method reheating and magnetic fluid cogeneration and Poly-generation | 贾建立 | 2018-03-09 | — | — | CN | disclosed |
| CN-104211654-B | A kind of preparation method and intermediate of Rivaroxaban intermediate | 联化科技（台州）有限公司 | 2017-03-29 | — | — | CN | disclosed |