⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25444706 | 0.94 | PDK2 (0.34) | — | |
| SCHEMBL25444711 | 0.91 | NPC1 (0.32) | — | |
| SCHEMBL14125166 | 0.91 | NPC1 (0.32) | — | |
| SCHEMBL5354304 | 0.87 | PDK2 (0.37) | — | |
| SCHEMBL22402534 | 0.87 | PDK2 (0.37) | — | |
| SCHEMBL25444635 | 0.87 | PDK2 (0.37) | — | |
| SCHEMBL25444633 | 0.87 | PDK2 (0.37) | — | |
| SCHEMBL22402512 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL25444697 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL5527019 | 0.86 | PDK2 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10038148-B2 | Borylated compounds | THE UNIVERSITY OF MANCHESTER (GB) | 2018-07-31 | — | — | US | disclosed |
| US-20170110660-A1 | BORYLATED COMPOUNDS | THE UNIVERSITY OF MANCHESTER (GB) | 2017-04-20 | — | — | US | disclosed |
| WO-2015189627-A1 | BORYLATED COMPOUNDS | THE UNIVERSITY OF MANCHESTER (GB) | 2015-12-17 | — | — | WO | disclosed |