⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459 | 0.89 | — | — | |
| SCHEMBL27415988 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL8796316 | 0.87 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL27787622 | 0.72 | TSHR (0.32) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27619822 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL3860691 | 0.65 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28015511 | 0.65 | KDM4E (0.36) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27768358 | 0.65 | PNMT (0.32) | — | |
| SCHEMBL20838380 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL7609053 | 0.62 | — | — |
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-105481909-A | Chiral diphosphine ligand and application thereof to asymmetric hydrogenation and correlated reactions | WUHAN KAITELISI TECH CO LTD | 2016-04-13 | — | — | CN | claimed |
| CN-111647011-B | Preparation method of monohalogenated phenylboronic acid | 宁夏中星显示材料有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-111647011-A | Preparation method of monohalogenated phenylboronic acid | 宁夏中星显示材料有限公司 | 2020-09-11 | — | — | CN | disclosed |