⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20909535 | 0.76 | — | — | |
| SCHEMBL1512616 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL24543491 | 0.66 | MAOA (0.37) | — | |
| SCHEMBL30157260 | 0.66 | MAOA (0.37) | — | |
| SCHEMBL29620265 | 0.60 | ACHE (0.42) | — | |
| SCHEMBL384037 | 0.60 | ACHE (0.42) | — | |
| SCHEMBL1512753 | 0.59 | USP8 (0.36) | — | |
| SCHEMBL14947901 | 0.59 | PARP1 (0.39) | — | |
| SCHEMBL20231933 | 0.58 | KCNJ1 (0.60) | — | |
| SCHEMBL20909534 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019075084-A1 | BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF | QPEX BIOPHARMA, INC. (US) | 2019-04-18 | — | — | WO | disclosed |