⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27141 | 0.82 | — | — | |
| SCHEMBL1162773 | 0.72 | — | — | |
| SCHEMBL127445 | 0.71 | — | — | |
| SCHEMBL6755152 | 0.65 | — | — | |
| SCHEMBL622200 | 0.65 | — | — | |
| SCHEMBL15740691 | 0.61 | — | — | |
| SCHEMBL20670 | 0.59 | — | — | |
| SCHEMBL513371 | 0.59 | — | — | |
| SCHEMBL30185 | 0.57 | — | — | |
| SCHEMBL15068452 | 0.57 | CA1 (0.46) | — |
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-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |