⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL715786 | 0.79 | — | — | |
| SCHEMBL27936032 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL540894 | 0.77 | — | — | |
| SCHEMBL7872222 | 0.76 | — | — | |
| SCHEMBL9161492 | 0.75 | — | — | |
| SCHEMBL9576502 | 0.75 | — | — | |
| SCHEMBL1918828 | 0.72 | — | — | |
| SCHEMBL9191211 | 0.70 | — | — | |
| SCHEMBL214653 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL11591058 | 0.70 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8176098-A | — | — | None | — | — | JP | disclosed |
| CN-115716906-B | Hexamethylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-118359791-A | Hexamethylene diisocyanate composition stable in long-period storage | 万华化学集团股份有限公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-115716906-A | Hexamethylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-02-28 | — | — | CN | disclosed |
| JP-H08176098-A | UNSATURATED MONOMER AND HIGH REFRACTIVE INDEX RESIN MATERIAL | MITSUBISHI CHEM CORP | 1996-07-09 | — | — | JP | disclosed |