⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28884059 | 1.00 | — | — | |
| SCHEMBL28348470 | 0.76 | — | — | |
| SCHEMBL28566586 | 0.76 | — | — | |
| SCHEMBL28362571 | 0.74 | — | — | |
| SCHEMBL28691469 | 0.74 | — | — | |
| SCHEMBL29115892 | 0.74 | — | — | |
| SCHEMBL27912065 | 0.74 | — | — | |
| SCHEMBL3356425 | 0.74 | — | — | |
| SCHEMBL4345092 | 0.74 | — | — | |
| SCHEMBL10938122 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117821525-A | Enzymatic synthesis method of halohydrin medicine chiral building block | 宁波酶赛生物工程有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117105742-A | Method for preparing high added value chlorohydrin by capturing HCl and catalyzing reaction with epoxide by using imidazole-based eutectic solvent | 南京大学 | 2023-11-24 | — | — | CN | disclosed |