⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11027175 | 0.72 | — | — | |
| SCHEMBL11027443 | 0.71 | — | — | |
| SCHEMBL11024618 | 0.68 | — | — | |
| SCHEMBL11020417 | 0.66 | — | — | |
| SCHEMBL11027673 | 0.66 | — | — | |
| SCHEMBL11019142 | 0.65 | — | — | |
| SCHEMBL11029557 | 0.62 | — | — | |
| SCHEMBL11024367 | 0.62 | — | — | |
| SCHEMBL11025404 | 0.62 | — | — | |
| SCHEMBL11023499 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0073480-B1 | A METHOD FOR THE PREPARATION OF PARTIALLY NEW 1,2-DIHALOALKYL AND CYCLOALKYL SULFONYL ISOCYANATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-06-19 | — | — | EP | disclosed |
| US-4448731-A | 1,2-Dihalogenoalkylsulfonyl isocyanates and 1,2-di-halogenocycloalkylsulfonyl isocyanates and process for their manufacture | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-05-15 | — | — | US | disclosed |
| EP-0073480-A1 | A method for the preparation of partially new 1,2-Dihaloalkyl and cycloalkyl sulfonyl isocyanates | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-03-09 | — | — | EP | disclosed |