⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL27702109 | 0.95 | — | — | |
| Urea SCHEMBL27464354 | 0.94 | — | — | |
| Urea SCHEMBL4814143 | 0.89 | — | — | |
| Urea SCHEMBL28671970 | 0.89 | — | — | |
| SCHEMBL4592782 | 0.89 | — | — | |
| Carbamic Acid SCHEMBL6545635 | 0.84 | — | — | |
| SCHEMBL10139 | 0.82 | — | — | |
| SCHEMBL9660945 | 0.82 | — | — | |
| Hydrazine SCHEMBL22634011 | 0.82 | — | — | |
| SCHEMBL28084851 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884024-B | Preparation process of xylylene diisocyanate XDI | 温科莱斯法国公司 | 2021-09-03 | — | — | CN | claimed |
| US-4151193-A | Process for the preparation of aliphatic isocyanates | PHILAGRO (FR) | 1979-04-24 | — | — | US | claimed |
| CN-115925580-B | Method for recycling HDI rectification residues and biuret polyisocyanate | 宁夏瑞泰科技股份有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-117550982-A | Treatment method of hexamethylene diisocyanate light component and preparation method of hexamethylene diisocyanate | 宁夏瑞泰科技股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-115925580-A | Method for recycling HDI rectification residues and biuret polyisocyanate | 宁夏瑞泰科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-108884024-B | Preparation process of xylylene diisocyanate XDI | 温科莱斯法国公司 | 2021-09-03 | — | — | CN | disclosed |