⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21801422 | 0.86 | — | — | |
| SCHEMBL30944821 | 0.83 | CA5A (0.31) | — | |
| SCHEMBL28683140 | 0.80 | CYP4F2 (0.31) | — | |
| SCHEMBL11388438 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL29024623 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL884189 | 0.72 | — | — | |
| SCHEMBL6766679 | 0.70 | — | — | |
| SCHEMBL12164286 | 0.69 | — | — | |
| SCHEMBL669053 | 0.69 | — | — | |
| SCHEMBL1083402 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113817151-B | Modified aqueous polyester polyol and preparation method and application thereof | 湖南汇田高分子科技有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-113817151-B | Modified aqueous polyester polyol and preparation method and application thereof | 湖南汇田高分子科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-113817151-B | Modified aqueous polyester polyol and preparation method and application thereof | 湖南汇田高分子科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-113817151-A | Modified water-based polyester polyol and preparation method and application thereof | 湖南汇田高分子科技有限公司 | 2021-12-21 | — | — | CN | disclosed |
| CN-113817151-A | Modified water-based polyester polyol and preparation method and application thereof | 湖南汇田高分子科技有限公司 | 2021-12-21 | — | — | CN | disclosed |
| US-7902291-B2 | Aqueous polyurethane resin composition and one-component adhesive agent and laminated body that use the same, and method for manufacturing aqueous polyurethane resin composition | NICCA CHEMICAL CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20100004386-A1 | AQUEOUS POLYURETHANE RESIN COMPOSITION AND ONE-COMPONENT ADHESIVE AGENT AND LAMINATED BODY THAT USE THE DAME, AND METHOD FOR MANUFACTURING AQUEOUS POLYURETHANE RESIN COMPOSITION | NICCA CHEMICAL CO., LTD. (JP) | 2010-01-07 | — | — | US | disclosed |