⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21158427 | 0.83 | POLB (0.31) | — | |
| SCHEMBL19886698 | 0.78 | P2RX7 (0.36) | — | |
| SCHEMBL18089740 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL18089738 | 0.76 | CAT (0.46) | — | |
| SCHEMBL18089734 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL18089741 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL22474791 | 0.62 | — | — | |
| SCHEMBL17286503 | 0.61 | — | — | |
| SCHEMBL22474797 | 0.61 | — | — | |
| SCHEMBL18662403 | 0.61 | — | — |
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-20180051041-A1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | THE MEDICINES COMPANY (SAN DIEGO), LLC | 2018-02-22 | — | — | US | disclosed |