⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27624348 | 0.78 | — | — | |
| SCHEMBL8697454 | 0.74 | — | — | |
| SCHEMBL27803453 | 0.73 | — | — | |
| SCHEMBL9871673 | 0.71 | — | — | |
| SCHEMBL11510594 | 0.71 | — | — | |
| SCHEMBL1669939 | 0.67 | — | — | |
| SCHEMBL14168213 | 0.65 | — | — | |
| SCHEMBL10557934 | 0.65 | — | — | |
| Bromide SCHEMBL11784068 | 0.65 | — | — | |
| SCHEMBL29978 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158957-B1 | ALLOPHANIC-ACID ESTER DERIVATIVES | BAYER AG (DE) | 1989-01-18 | — | — | EP | claimed |
| EP-0158957-A2 | Allophanic-acid ester derivatives | BAYER AG (DE) | 1985-10-23 | — | — | EP | claimed |
| EP-0080106-B1 | PROCESS FOR PREPARING N-SUBSTITUTED N-ISOCYANATOCARBONYL CARBAMATES | BAYER AG (DE) | 1985-10-16 | — | — | EP | claimed |
| US-4482737-A | CHLOROCARBONYL ISCOCYANATE, CARBAMATE, PESTCIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | claimed |
| EP-0080106-A1 | Process for preparing N-substituted N-isocyanatocarbonyl carbamates | BAYER AG (DE) | 1983-06-01 | — | — | EP | claimed |
| EP-0158957-B1 | ALLOPHANIC-ACID ESTER DERIVATIVES | BAYER AG (DE) | 1989-01-18 | — | — | EP | disclosed |
| US-4610985-A | Allophanate derivative, fungicidal compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-09 | — | — | US | disclosed |
| EP-0158957-A2 | Allophanic-acid ester derivatives | BAYER AG (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0158957-A2 | Allophanic-acid ester derivatives | BAYER AG (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0080106-B1 | PROCESS FOR PREPARING N-SUBSTITUTED N-ISOCYANATOCARBONYL CARBAMATES | BAYER AG (DE) | 1985-10-16 | — | — | EP | disclosed |
| EP-0080106-B1 | PROCESS FOR PREPARING N-SUBSTITUTED N-ISOCYANATOCARBONYL CARBAMATES | BAYER AG (DE) | 1985-10-16 | — | — | EP | disclosed |
| US-4482737-A | CHLOROCARBONYL ISCOCYANATE, CARBAMATE, PESTCIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| US-4482737-A | CHLOROCARBONYL ISCOCYANATE, CARBAMATE, PESTCIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| US-4482737-A | CHLOROCARBONYL ISCOCYANATE, CARBAMATE, PESTCIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| EP-0080106-A1 | Process for preparing N-substituted N-isocyanatocarbonyl carbamates | BAYER AG (DE) | 1983-06-01 | — | — | EP | disclosed |
| EP-0080106-A1 | Process for preparing N-substituted N-isocyanatocarbonyl carbamates | BAYER AG (DE) | 1983-06-01 | — | — | EP | disclosed |
| EP-0080106-A1 | Process for preparing N-substituted N-isocyanatocarbonyl carbamates | BAYER AG (DE) | 1983-06-01 | — | — | EP | disclosed |