⚠ 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 | |
|---|---|---|---|---|
| Methane Boronic Acid SCHEMBL80533 | 0.72 | — | — | |
| SCHEMBL587269 | 0.72 | — | — | |
| Methane Boronic Acid SCHEMBL27433913 | 0.67 | — | — | |
| Methane Boronic Acid SCHEMBL934304 | 0.67 | — | — | |
| Boric Acid SCHEMBL28116009 | 0.67 | — | — | |
| SCHEMBL1529019 | 0.63 | — | — | |
| SCHEMBL10259066 | 0.62 | — | — | |
| SCHEMBL19089580 | 0.62 | — | — | |
| SCHEMBL12727148 | 0.62 | — | — | |
| SCHEMBL14349917 | 0.62 | — | — |
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-20150361109-A1 | METHODS FOR PRODUCING BORYLATED ARENES | DOW AGROSCIENCES LLC | 2015-12-17 | — | — | US | disclosed |