⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18461260 | 0.71 | — | — | |
| SCHEMBL20246941 | 0.69 | ADRA1A (0.31) | — | |
| SCHEMBL30763674 | 0.69 | — | — | |
| SCHEMBL6744092 | 0.69 | — | — | |
| SCHEMBL18036076 | 0.60 | — | — | |
| SCHEMBL1714435 | 0.59 | — | — | |
| SCHEMBL2538119 | 0.59 | — | — | |
| SCHEMBL2538117 | 0.59 | — | — | |
| SCHEMBL11316987 | 0.58 | — | — | |
| SCHEMBL12633923 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090286995-A1 | METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES | ARCHIMICA GMBH (DE) | 2009-11-19 | — | — | US | disclosed |