⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23864904 | 1.00 | — | — | |
| SCHEMBL17058765 | 0.78 | — | — | |
| SCHEMBL24490416 | 0.76 | — | — | |
| SCHEMBL19678630 | 0.73 | — | — | |
| SCHEMBL23864846 | 0.71 | ANPEP (0.41) | — | |
| SCHEMBL13951136 | 0.71 | — | — | |
| SCHEMBL23864847 | 0.71 | — | — | |
| SCHEMBL13815186 | 0.71 | ANPEP (0.33) | — | |
| SCHEMBL21601966 | 0.71 | — | — | |
| SCHEMBL15203160 | 0.71 | — | — |
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-20200369722-A1 | SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS | MILLENNIUM PHARM INC (US) | 2020-11-26 | — | — | US | disclosed |