⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577437 | 0.76 | — | — | |
| SCHEMBL684232 | 0.76 | — | — | |
| SCHEMBL9372859 | 0.74 | — | — | |
| SCHEMBL14152670 | 0.74 | — | — | |
| SCHEMBL1566173 | 0.72 | — | — | |
| SCHEMBL8682794 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL31478751 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL8447549 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL14889613 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL28587461 | 0.72 | ALDH1A1 (0.39) | — |
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-117986200-A | Preparation method of phenyl-dithiazole derivative | 烟台新药创制山东省实验室 | 2024-05-07 | — | — | CN | disclosed |
| CN-1294568-A | Fluorinating agent, process for producing same, and use thereof | MITSUI CHEMICALS INC (JP) | 2001-05-09 | — | — | CN | disclosed |