⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL640102 | 0.70 | — | — | |
| Fluoride SCHEMBL9108389 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9110824 | 0.67 | — | — | |
| Propane SCHEMBL3382043 | 0.57 | — | — | |
| Butane SCHEMBL642616 | 0.55 | — | — | |
| Alcohol SCHEMBL3658612 | 0.55 | — | — | |
| SCHEMBL12972964 | 0.53 | — | — | |
| SCHEMBL13599126 | 0.53 | — | — | |
| Ethylamine SCHEMBL31073909 | 0.52 | — | — | |
| Hypophosphorous Acid SCHEMBL38657083 | 0.52 | — | — |
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-20170000132-A1 | BENZOXABOROLE FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-01-05 | — | — | US | disclosed |