⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27776989 | 0.84 | — | — | |
| SCHEMBL28112017 | 0.84 | — | — | |
| SCHEMBL28112019 | 0.84 | — | — | |
| Zinc Chloride SCHEMBL28227137 | 0.82 | — | — | |
| SCHEMBL19667498 | 0.82 | — | — | |
| SCHEMBL2288994 | 0.74 | — | — | |
| SCHEMBL27688162 | 0.71 | CA12 (0.30) | — | |
| SCHEMBL27688457 | 0.70 | — | — | |
| SCHEMBL4483287 | 0.69 | — | — | |
| SCHEMBL2284666 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761820-A | A kind of 3`, 4`, the chemical synthesis process of fluoro- [1,1`- the biphenyl] -2- amine of 5`- tri- | 浙江工业大学 | 2019-05-17 | — | — | CN | disclosed |
| CN-102325747-B | Process for preparing 2-aminobiphenylene compounds | BASF SE | 2015-01-07 | — | — | CN | disclosed |