⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7503772 | 0.57 | — | — | |
| SCHEMBL21579569 | 0.50 | — | — | |
| SCHEMBL239146 | 0.41 | — | — | |
| SCHEMBL9419675 | 0.39 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.39 | — | — | |
| SCHEMBL20781 | 0.36 | — | — | |
| SCHEMBL262924 | 0.36 | TSHR (0.36) | — | |
| SCHEMBL5849008 | 0.36 | ALDH1A1 (0.46) | — | |
| Calcium Chloride SCHEMBL23441478 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.35 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7468174-B2 | Controlling the flow rate of sulfur trioxide and cyanogen chloride added to a reaction system by diluting sulfur trioxide and cyanogen chloride with chlorosulfonyl isocyanate or a solution including chlorosulfonyl isocyanate; improved yield of chlorosulfonyl isocyanate | NIPPON SODA CO., LTD. (JP) | 2008-12-23 | — | — | US | disclosed |
| EP-1695958-B1 | METHOD FOR PRODUCING CHLOROSULFONYL ISOCYANATE | NIPPON SODA CO (JP) | 2008-02-27 | — | — | EP | disclosed |
| US-20070286789-A1 | Method for Producing Chlorosulfonyl Isocyanate | NIPPON SODA CO., LTD. (JP) | 2007-12-13 | — | — | US | disclosed |
| EP-1695958-A1 | METHOD FOR PRODUCING CHLOROSULFONYL ISOCYANATE | NIPPON SODA CO., LTD. (JP) | 2006-08-30 | — | — | EP | disclosed |
| US-5118487-A | Process for producing chlorosulfonyl isocyanate | KURARAY CO., LTD. (JP) | 1992-06-02 | — | — | US | disclosed |