⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28097781 | 1.00 | — | — | |
| Benzene SCHEMBL487381 | 1.00 | — | — | |
| SCHEMBL15545054 | 0.93 | — | — | |
| SCHEMBL30349410 | 0.93 | — | — | |
| SCHEMBL30558016 | 0.93 | — | — | |
| SCHEMBL87532 | 0.93 | — | — | |
| SCHEMBL4361674 | 0.93 | — | — | |
| SCHEMBL30349526 | 0.93 | — | — | |
| SCHEMBL15544478 | 0.93 | — | — | |
| SCHEMBL102 | 0.93 | — | — |
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-106518901-B | A kind of trapezoidal organoboron compound of luminous four-coordination and its preparation method and application | 南京邮电大学 | 2018-03-30 | — | — | CN | disclosed |
| CN-106518901-A | Illuminating tetra-ligand trapezoid organic boron compound, and preparation method and application thereof | 南京邮电大学 | 2017-03-22 | — | — | CN | disclosed |