⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8090092 | 0.81 | NPY4R (0.31) | — | |
| SCHEMBL8095195 | 0.77 | F10 (0.33) | — | |
| SCHEMBL8090090 | 0.76 | NPY4R (0.32) | — | |
| SCHEMBL8091473 | 0.76 | — | — | |
| SCHEMBL8095067 | 0.74 | NPY4R (0.32) | — | |
| SCHEMBL8095303 | 0.73 | F2 (0.40) | — | |
| SCHEMBL8095297 | 0.73 | F2 (0.40) | — | |
| SCHEMBL8090137 | 0.73 | NPC1 (0.45) | — | |
| SCHEMBL8090106 | 0.73 | ITGB3 (0.37) | — | |
| SCHEMBL8091591 | 0.73 | SPHK1 (0.31) | — |
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 |