⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7040828 | 0.74 | — | — | |
| SCHEMBL7092607 | 0.71 | — | — | |
| SCHEMBL329516 | 0.70 | BRD4 (0.48) | — | |
| SCHEMBL21627160 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL783007 | 0.65 | — | — | |
| SCHEMBL7573116 | 0.65 | — | — | |
| SCHEMBL25136544 | 0.64 | POLB (0.33) | — | |
| SCHEMBL17035447 | 0.64 | POLB (0.33) | — | |
| SCHEMBL10574450 | 0.64 | — | — | |
| SCHEMBL122141 | 0.64 | BRD4 (0.41) | — |
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-104478912-A | Method for preparing saturated potassium azacyclo-trifluoroborates | CHENGDU ASLEE BIOPHARMACEUTICALS INC | 2015-04-01 | — | — | CN | disclosed |