⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5837401 | 0.98 | — | — | |
| SCHEMBL6883593 | 0.88 | — | — | |
| SCHEMBL5837638 | 0.77 | — | — | |
| SCHEMBL844834 | 0.70 | — | — | |
| SCHEMBL6883589 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7371204 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7369747 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7371696 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL2298894 | 0.66 | SLC7A5 (0.38) | — | |
| SCHEMBL12493612 | 0.65 | — | — |
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-6586615-B1 | Boron compounds such as 1-amino-3,3-difluoropropyl boronate pinacol ester used as intermediates for antagonists of serine proteases, leukocyte elastases, cathepsins, chymotrypsin and hepatitis virus enzyme inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-07-01 | — | — | US | disclosed |