⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27002589 | 0.92 | — | — | |
| SCHEMBL29078278 | 0.83 | — | — | |
| SCHEMBL27002629 | 0.82 | — | — | |
| SCHEMBL27002572 | 0.81 | — | — | |
| SCHEMBL331450 | 0.75 | — | — | |
| SCHEMBL331226 | 0.75 | — | — | |
| SCHEMBL331809 | 0.75 | — | — | |
| SCHEMBL27002539 | 0.72 | — | — | |
| SCHEMBL331483 | 0.69 | — | — | |
| SCHEMBL432441 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240166795-A1 | XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2024-05-23 | — | — | US | disclosed |
| EP-4306509-A1 | XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | Wanhua Chemical Group Co., Ltd (CN) | 2024-01-17 | — | — | EP | disclosed |
| WO-2021057196-A1 | ISOCYANATE COMPOSITION, AND OPTICAL RESIN PREPARED USING SAME | 万华化学集团股份有限公司 | 2021-04-01 | — | — | WO | disclosed |