⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29362076 | 1.00 | — | — | |
| SCHEMBL31019791 | 1.00 | — | — | |
| SCHEMBL29895107 | 0.92 | — | — | |
| SCHEMBL28889095 | 0.82 | — | — | |
| Boric Acid SCHEMBL25195294 | 0.81 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL8851917 | 0.81 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL5691804 | 0.81 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL28257526 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL229715 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0335940-B1 | PRESERVATIVE ELEMENTS CONTAINING ORGANIC BORON COMPOUNDS AND THEIR USE | MANCHEM LIMITED (GB) | 1992-04-15 | — | — | EP | claimed |