⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8091436 | 0.84 | — | — | |
| SCHEMBL8090129 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL8090137 | 0.78 | NPC1 (0.45) | — | |
| SCHEMBL8091469 | 0.77 | ADRA1D (0.33) | — | |
| SCHEMBL8091474 | 0.76 | ADRA1D (0.40) | — | |
| SCHEMBL8090109 | 0.76 | — | — | |
| SCHEMBL8091412 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL8095303 | 0.70 | F2 (0.40) | — | |
| SCHEMBL8095297 | 0.70 | F2 (0.40) | — | |
| SCHEMBL8091494 | 0.69 | SPHK1 (0.34) | — |
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 |