⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4232200 | 0.75 | — | — | |
| SCHEMBL29264263 | 0.74 | — | — | |
| SCHEMBL8590212 | 0.71 | — | — | |
| SCHEMBL28652053 | 0.71 | — | — | |
| SCHEMBL8734988 | 0.70 | — | — | |
| SCHEMBL15397651 | 0.68 | — | — | |
| SCHEMBL879175 | 0.68 | — | — | |
| SCHEMBL5390125 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL5835308 | 0.67 | — | — | |
| SCHEMBL4921470 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118931861-A | Cytochrome P450BM3 mutant and application thereof in regioselective efficient degradation of 4-chlorophenol | 南京大学 | 2024-11-12 | — | — | CN | claimed |
| CN-118931861-A | Cytochrome P450BM3 mutant and application thereof in regioselective efficient degradation of 4-chlorophenol | 南京大学 | 2024-11-12 | — | — | CN | disclosed |
| EP-0421603-A2 | Melt-processable copolyesterimide | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1991-04-10 | — | — | EP | disclosed |
| US-4647649-A | SULFONYL HALIDE | TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) | 1987-03-03 | — | — | US | disclosed |