⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28818985 | 0.97 | — | — | |
| SCHEMBL3972450 | 0.79 | KDM6B (0.36) | — | |
| Acetic Acid SCHEMBL1128316 | 0.73 | KDM6B (0.44) | — | |
| SCHEMBL22201141 | 0.73 | — | — | |
| SCHEMBL156391 | 0.71 | — | — | |
| SCHEMBL7027913 | 0.69 | — | — | |
| SCHEMBL19286875 | 0.69 | — | — | |
| SCHEMBL10764532 | 0.69 | — | — | |
| SCHEMBL11125721 | 0.69 | — | — | |
| SCHEMBL743846 | 0.69 | — | — |
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-110372544-A | A kind of synthetic method of the biaryl hydrocarbons and their derivates of iron catalysis | 北京师范大学 | 2019-10-25 | — | — | CN | disclosed |