⚠ 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 SCHEMBL6278097 | 0.80 | — | — | |
| Boric Acid SCHEMBL28897241 | 0.78 | — | — | |
| Boric Acid SCHEMBL29849681 | 0.78 | — | — | |
| Boric Acid SCHEMBL4099472 | 0.72 | LMNA (0.67) | — | |
| Boric Acid SCHEMBL28632861 | 0.72 | LMNA (0.67) | — | |
| Boric Acid SCHEMBL751501 | 0.72 | — | — | |
| Boric Acid SCHEMBL28634604 | 0.72 | LMNA (0.67) | — | |
| Boric Acid SCHEMBL11062603 | 0.72 | — | — | |
| Boric Acid SCHEMBL2835168 | 0.71 | LMNA (1.00) | — | |
| Boric Acid SCHEMBL8594563 | 0.71 | LMNA (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119143577-A | Synthesis method of high propargyl tertiary alcohol containing two adjacent chiral centers | 南京理工大学 | 2024-12-17 | — | — | CN | disclosed |
| CN-117447324-A | Preparation method of alpha, alpha disubstituted chiral allene ester | 宁夏医科大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-117430508-A | Preparation method of tetra-substituted chiral high propargyl alcohol | 宁夏医科大学 | 2024-01-23 | — | — | CN | disclosed |