⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8091664 | 0.74 | POLB (0.33) | — | |
| SCHEMBL8095325 | 0.71 | POLB (0.33) | — | |
| SCHEMBL8095330 | 0.68 | NPC1 (0.49) | — | |
| SCHEMBL9250285 | 0.65 | CA1 (0.44) | — | |
| SCHEMBL9247331 | 0.64 | PGR (0.31) | — | |
| SCHEMBL8091556 | 0.63 | CTSB (0.33) | — | |
| SCHEMBL8098021 | 0.62 | ITGB3 (0.33) | — | |
| SCHEMBL8098109 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL9250153 | 0.62 | SLC16A3 (0.35) | — | |
| SCHEMBL9244835 | 0.61 | SLC16A3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0792883-B1 | Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2000-12-20 | — | — | EP | disclosed |
| EP-0792883-A1 | Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1997-09-03 | — | — | EP | disclosed |