⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20840027 | 0.92 | TSHR (0.50) | — | |
| SCHEMBL29155976 | 0.92 | — | — | |
| SCHEMBL207810 | 0.92 | — | — | |
| SCHEMBL29156044 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL1451901 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28474833 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL1230332 | 0.88 | — | — | |
| Water SCHEMBL9139757 | 0.88 | — | — | |
| Methoxymethane SCHEMBL29171051 | 0.81 | — | — | |
| Dimethylamine SCHEMBL28058522 | 0.81 | — | — |
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-105777482-B | A kind of 1-（1- chloromethyl vinyl bases）The synthetic method of -2,4- difluorobenzene | 浙江大学宁波理工学院 | 2018-06-15 | — | — | CN | disclosed |