⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27270450 | 0.78 | — | — | |
| SCHEMBL27268456 | 0.76 | — | — | |
| SCHEMBL19886690 | 0.60 | PARP1 (0.38) | — | |
| SCHEMBL6098222 | 0.56 | PSMB5 (0.47) | — | |
| SCHEMBL6101622 | 0.56 | CYP19A1 (0.38) | — | |
| SCHEMBL23655023 | 0.54 | CAT (0.63) | — | |
| SCHEMBL23655222 | 0.54 | CAT (0.48) | — | |
| SCHEMBL2729067 | 0.54 | ADRA2A (0.47) | — | |
| SCHEMBL12943294 | 0.54 | HTR2C (0.53) | — | |
| SCHEMBL13116629 | 0.54 | CHRNB4 (0.36) | — |
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-12016868-B2 | Boronic acid derivatives and therapeutic uses thereof | QPEX BIOPHARMA, INC. (US) | 2024-06-25 | — | — | US | disclosed |