⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20375527 | 0.67 | — | — | |
| SCHEMBL17156317 | 0.64 | LRRK2 (0.35) | — | |
| SCHEMBL16051214 | 0.62 | — | — | |
| SCHEMBL759910 | 0.61 | LRRK2 (0.40) | — | |
| SCHEMBL18985784 | 0.60 | LRRK2 (0.46) | — | |
| SCHEMBL15585186 | 0.59 | KDM4E (0.33) | — | |
| SCHEMBL29640707 | 0.59 | CDK1 (0.45) | — | |
| SCHEMBL22234902 | 0.59 | CDK1 (0.45) | — | |
| SCHEMBL23424323 | 0.58 | — | — | |
| SCHEMBL14853208 | 0.56 | AURKA (0.34) | — |
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-114933597-B | 3-hydroxyisothiazoline derivative, preparation method and application | 武汉工程大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-114933597-A | 3-hydroxyisothiazoline derivative, preparation method and application | 武汉工程大学 | 2022-08-23 | — | — | CN | disclosed |