⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15111745 | 0.67 | — | — | |
| SCHEMBL3277640 | 0.67 | — | — | |
| SCHEMBL9257156 | 0.67 | — | — | |
| SCHEMBL838240 | 0.67 | — | — | |
| SCHEMBL19326889 | 0.67 | — | — | |
| SCHEMBL837842 | 0.67 | — | — | |
| SCHEMBL2874851 | 0.67 | — | — | |
| Bromide SCHEMBL9235056 | 0.65 | — | — | |
| SCHEMBL3885959 | 0.61 | — | — | |
| SCHEMBL1653664 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090227542-A1 | Novel Boronic Chalcone Derivatives and Uses Thereof | JOHNS HOPKINS UNIVERSITY, JOHNS HOPKINS TECHNOLOGY TRANSFER | 2009-09-10 | — | — | US | disclosed |
| WO-2003106384-A2 | NOVEL BORONIC CHALCONE DERIVATIVES AND USES THEREOF | JOHNS HOPKINS UNIVERSITY (US) | 2003-12-24 | — | — | WO | disclosed |