⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7525997 | 0.85 | — | — | |
| SCHEMBL7021349 | 0.76 | — | — | |
| SCHEMBL330877 | 0.75 | — | — | |
| SCHEMBL7522880 | 0.74 | — | — | |
| SCHEMBL7524078 | 0.71 | — | — | |
| SCHEMBL891829 | 0.71 | — | — | |
| SCHEMBL3097894 | 0.70 | — | — | |
| SCHEMBL7910630 | 0.68 | — | — | |
| SCHEMBL812404 | 0.68 | — | — | |
| SCHEMBL30118085 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105531258-B | Reactive antibacterial compound and preparation method thereof | 深圳大学 | 2020-11-20 | — | — | CN | disclosed |
| EP-0713105-B1 | Composition for optical materials and use thereof | MITSUI CHEMICALS INC (JP) | 2002-03-13 | — | — | EP | disclosed |
| US-5756766-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5652321-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-29 | — | — | US | disclosed |
| EP-0713105-A2 | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-05-22 | — | — | EP | disclosed |