⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28181943 | 0.91 | CYP1A2 (0.35) | — | |
| SCHEMBL8428841 | 0.87 | EPHX1 (0.45) | — | |
| SCHEMBL4612501 | 0.86 | — | — | |
| SCHEMBL12096491 | 0.85 | EPHX1 (0.53) | — | |
| SCHEMBL9419418 | 0.84 | EPHX1 (0.57) | — | |
| SCHEMBL3271036 | 0.84 | EPHX1 (0.57) | — | |
| SCHEMBL5697977 | 0.84 | EPHX1 (0.57) | — | |
| SCHEMBL28042955 | 0.84 | EPHX1 (0.57) | — | |
| SCHEMBL27650515 | 0.84 | EPHX1 (0.57) | — | |
| SCHEMBL8196755 | 0.81 | — | — |
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-118439920-A | Alkenyl-containing liquid crystal compound and preparation method and application thereof | 北京八亿时空液晶科技股份有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-109714968-A | POLYMER-BASED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE THEREOF | 艾克森实验室有限公司 | 2019-05-03 | — | — | CN | disclosed |