⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19380674 | 0.84 | — | — | |
| SCHEMBL24849192 | 0.77 | — | — | |
| SCHEMBL23219892 | 0.69 | PCSK9 (0.35) | — | |
| SCHEMBL12319486 | 0.68 | — | — | |
| SCHEMBL22756285 | 0.66 | — | — | |
| SCHEMBL19325374 | 0.65 | — | — | |
| SCHEMBL22590640 | 0.63 | — | — | |
| SCHEMBL19388947 | 0.63 | — | — | |
| SCHEMBL18402997 | 0.63 | — | — | |
| SCHEMBL24894688 | 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-10973835-B2 | Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase | THE PENN STATE RESEARCH FOUNDATION (US) | 2021-04-13 | — | — | US | disclosed |