⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28988458 | 0.84 | — | — | |
| SCHEMBL8594303 | 0.80 | TP53 (0.34) | — | |
| SCHEMBL7190881 | 0.76 | — | — | |
| SCHEMBL28001962 | 0.75 | — | — | |
| SCHEMBL30026924 | 0.72 | — | — | |
| SCHEMBL29581826 | 0.68 | — | — | |
| SCHEMBL4840671 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL11662836 | 0.67 | — | — | |
| SCHEMBL29134675 | 0.67 | — | — | |
| SCHEMBL10792436 | 0.65 | — | — |
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-118019735-A | Arylsulfonyl compounds as CCR6 inhibitors | 坎莫森特里克斯公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-112724103-A | Isopromazine specific impurity and analysis method and removal method thereof | 广安凯特制药有限公司 | 2021-04-30 | — | — | CN | disclosed |