⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28884 | 0.84 | NPC1 (0.34) | — | |
| SCHEMBL8780853 | 0.69 | MAPT (0.48) | — | |
| SCHEMBL64283 | 0.69 | — | — | |
| SCHEMBL19048533 | 0.67 | DAO (0.34) | — | |
| Hydrogen Sulfide SCHEMBL5894730 | 0.66 | — | — | |
| SCHEMBL12266219 | 0.64 | TRPV6 (0.50) | — | |
| SCHEMBL29764 | 0.61 | NPC1 (0.52) | — | |
| SCHEMBL12982405 | 0.59 | NPC1 (0.50) | — | |
| SCHEMBL120939 | 0.59 | NPC1 (0.50) | — | |
| SCHEMBL12170048 | 0.59 | NPC1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025760-A1 | PROCESS FOR THE BORYLATION OF ARENES AND HETEROARYLS | THE UNIVERSITY OF MANCHESTER (GB) | 2012-03-01 | — | — | WO | disclosed |