⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3013919 | 1.00 | — | — | |
| SCHEMBL9444821 | 1.00 | — | — | |
| SCHEMBL3014258 | 1.00 | — | — | |
| SCHEMBL23824973 | 1.00 | — | — | |
| SCHEMBL9444992 | 0.97 | — | — | |
| SCHEMBL2831434 | 0.89 | — | — | |
| SCHEMBL23825016 | 0.85 | — | — | |
| SCHEMBL23825147 | 0.85 | — | — | |
| SCHEMBL3004481 | 0.85 | — | — | |
| SCHEMBL10643237 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882235-B1 | PRODUCTION METHOD FOR ISOCYANATE COMPOUND | UNIV KOBE NAT UNIV CORP (JP) | 2025-01-22 | — | — | EP | disclosed |
| US-12060312-B2 | Production method for isocyanate compound | NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) | 2024-08-13 | — | — | US | disclosed |
| CN-115181495-B | Super-amphiphobic super-weather-resistant organic silicon protective coating and preparation method thereof | 江苏苏博特新材料股份有限公司 | 2023-07-18 | — | — | CN | disclosed |
| US-20220002234-A1 | PRODUCTION METHOD FOR ISOCYANATE COMPOUND | NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) | 2022-01-06 | — | — | US | disclosed |
| EP-3882235-A1 | PRODUCTION METHOD FOR ISOCYANATE COMPOUND | National University Corporation Kobe University (JP) | 2021-09-22 | — | — | EP | disclosed |
| CN-113015719-A | Method for producing isocyanate compound | 国立大学法人神户大学 | 2021-06-22 | — | — | CN | disclosed |