⚠ 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 SCHEMBL28229369 | 0.81 | — | — | |
| Boric Acid SCHEMBL28993199 | 0.79 | — | — | |
| Boric Acid SCHEMBL28993167 | 0.76 | TSHR (0.33) | — | |
| Boric Acid SCHEMBL28284978 | 0.74 | CA12 (0.32) | — | |
| Boric Acid SCHEMBL28230124 | 0.74 | CA1 (0.30) | — | |
| Boric Acid SCHEMBL28236350 | 0.74 | — | — | |
| Boric Acid SCHEMBL461466 | 0.74 | CES1 (0.36) | — | |
| Boric Acid SCHEMBL29046174 | 0.74 | — | — | |
| Boric Acid SCHEMBL28283421 | 0.74 | ALDH1A1 (0.33) | — | |
| Boric Acid SCHEMBL28033200 | 0.74 | — | — |
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-108341968-A | A kind of dynamic aggregation object and its application | 翁秋梅 | 2018-07-31 | — | — | CN | disclosed |