⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3004839 | 1.00 | — | — | |
| SCHEMBL23825110 | 1.00 | — | — | |
| SCHEMBL23824940 | 1.00 | — | — | |
| SCHEMBL1533428 | 1.00 | — | — | |
| SCHEMBL4134808 | 1.00 | — | — | |
| SCHEMBL892278 | 0.96 | — | — | |
| SCHEMBL3191603 | 0.88 | — | — | |
| SCHEMBL116367 | 0.84 | — | — | |
| SCHEMBL1279843 | 0.83 | — | — | |
| SCHEMBL9484187 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |