⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28061329 | 0.98 | — | — | |
| Boric Acid SCHEMBL28011961 | 0.76 | — | — | |
| SCHEMBL28182011 | 0.68 | CYP2D6 (0.30) | — | |
| SCHEMBL2372345 | 0.67 | CYP2D6 (0.33) | — | |
| SCHEMBL27799190 | 0.66 | — | — | |
| Boric Acid SCHEMBL362365 | 0.66 | ALDH1A1 (0.33) | — | |
| Boric Acid SCHEMBL28313275 | 0.64 | ALDH1A1 (0.32) | — | |
| Boric Acid SCHEMBL8614621 | 0.63 | LMNA (0.33) | — | |
| Boric Acid SCHEMBL594481 | 0.62 | THRB (0.43) | — | |
| Boric Acid SCHEMBL474845 | 0.62 | THRB (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156820-A | A kind of Mercaptoamides boric acid analog derivative and its purposes as MBL and/or SBL inhibitor | 四川大学 | 2019-08-23 | — | — | CN | disclosed |