⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL365472 | 0.82 | — | — | |
| SCHEMBL28963958 | 0.78 | — | — | |
| SCHEMBL11015936 | 0.78 | — | — | |
| SCHEMBL21616732 | 0.78 | — | — | |
| SCHEMBL29120863 | 0.76 | — | — | |
| SCHEMBL29078422 | 0.71 | ALDH1A1 (0.30) | — | |
| Boric Acid SCHEMBL10339719 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL3923932 | 0.67 | — | — | |
| SCHEMBL20236054 | 0.67 | — | — | |
| SCHEMBL28650795 | 0.65 | — | — |
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-2021036515-A1 | METHOD FOR SYNTHESIZING ALKENYL BORATE COMPOUND | 中国科学院兰州化学物理研究所 | 2021-03-04 | — | — | WO | disclosed |