⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3061769 | 0.84 | — | — | |
| N-Nitrosodiethylamine SCHEMBL8046777 | 0.74 | TSHR (1.00) | — | |
| N-Nitrosodiethylamine SCHEMBL106629 | 0.74 | — | — | |
| SCHEMBL10883185 | 0.69 | TSHR (0.75) | — | |
| SCHEMBL25401937 | 0.67 | — | — | |
| SCHEMBL11525062 | 0.65 | — | — | |
| SCHEMBL65244 | 0.64 | — | — | |
| SCHEMBL9194314 | 0.64 | — | — | |
| SCHEMBL8651325 | 0.63 | — | — | |
| SCHEMBL11218866 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |