⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7524085 | 0.90 | — | — | |
| SCHEMBL330812 | 0.90 | — | — | |
| SCHEMBL330639 | 0.87 | — | — | |
| SCHEMBL330878 | 0.87 | — | — | |
| SCHEMBL7527591 | 0.84 | — | — | |
| SCHEMBL7534484 | 0.81 | TRPA1 (0.32) | — | |
| SCHEMBL27548613 | 0.79 | TRPA1 (0.35) | — | |
| SCHEMBL29913930 | 0.77 | TRPA1 (0.36) | — | |
| SCHEMBL330749 | 0.77 | — | — | |
| SCHEMBL11251468 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11044908-B2 | Reactive antibacterial compound and preparation method thereof | SHENZHEN UNIVERSITY (CN) | 2021-06-29 | — | — | US | disclosed |
| CN-105531258-B | Reactive antibacterial compound and preparation method thereof | 深圳大学 | 2020-11-20 | — | — | CN | disclosed |
| US-20200196598-A1 | REACTIVE ANTIBACTERIAL COMPOUND AND PREPARATION METHOD THEREOF | SHENZHEN UNIVERSITY (CN) | 2020-06-25 | — | — | US | disclosed |
| US-10609927-B2 | Reactive antibacterial compound and preparation method thereof | SHENZHEN UNIVERSITY (CN) | 2020-04-07 | — | — | US | disclosed |
| US-10368544-B2 | Reactive antibacterial compound and preparation method thereof | SHENZHEN UNIVERSITY (CN) | 2019-08-06 | — | — | US | disclosed |
| US-20190133123-A1 | REACTIVE ANTIBACTERIAL COMPOUND AND PREPARATION METHOD THEREOF | SHENZHEN UNIVERSITY (CN) | 2019-05-09 | — | — | US | disclosed |
| US-20180092356-A1 | REACTIVE ANTIBACTERIAL COMPOUND AND PREPARATION METHOD THEREOF | SHENZHEN UNIVERSITY (CN) | 2018-04-05 | — | — | US | 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 |