⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27627164 | 0.91 | TSHR (0.35) | — | |
| Phosphine SCHEMBL28031042 | 0.88 | TSHR (0.33) | — | |
| Water SCHEMBL28060836 | 0.88 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28095960 | 0.88 | TSHR (0.33) | — | |
| Methylamine SCHEMBL28044865 | 0.86 | TSHR (0.32) | — | |
| Ethylamine SCHEMBL28227030 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL28005710 | 0.82 | — | — | |
| Ether SCHEMBL28143978 | 0.82 | — | — | |
| Cyanate SCHEMBL28112346 | 0.80 | — | — | |
| Urea SCHEMBL28099558 | 0.80 | ALOX15 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108676559-A | A kind of cerium, europium-doped oxyapatite luminescent material and preparation method thereof | 温州大学 | 2018-10-19 | — | — | CN | disclosed |