⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93390 | 0.78 | — | — | |
| SCHEMBL6492 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL6567522 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL5084504 | 0.72 | TSHR (0.35) | — | |
| Hno SCHEMBL15954661 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL5096697 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL1082541 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL2363259 | 0.65 | TSHR (0.43) | — | |
| Phosphoric Acid SCHEMBL6824270 | 0.63 | TSHR (0.38) | — | |
| SCHEMBL2812394 | 0.62 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0423033-A1 | Process for the polarisation of the nuclei of asolvent usable in magnetometry or gyrometry at a temperature of 30oC to 130oC, process for the preparation of nitroxide radicals used in this process, and magnetometer probe using this process | Commissariat à l'Energie Atomique (FR) | 1991-04-17 | — | — | EP | disclosed |