⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2167689 | 0.97 | — | — | |
| Fumaric Acid SCHEMBL9170981 | 0.97 | TSHR (0.64) | — | |
| SCHEMBL1164653 | 0.97 | TSHR (0.64) | — | |
| Maleic Acid SCHEMBL4304790 | 0.97 | TSHR (0.64) | — | |
| SCHEMBL28092825 | 0.97 | TSHR (0.64) | — | |
| SCHEMBL34552 | 0.97 | — | — | |
| SCHEMBL14359 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28097600 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL3442849 | 0.93 | — | — | |
| SCHEMBL9364041 | 0.93 | — | — |
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-105936680-B | A kind of rare earth compounding and its preparation method and application | 西安科技大学 | 2018-09-18 | — | — | CN | disclosed |
| CN-105936680-A | Rare earth complex, preparation method and applications thereof | 西安科技大学 | 2016-09-14 | — | — | CN | disclosed |