⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10314910 | 1.00 | — | — | |
| SCHEMBL4895623 | 0.73 | TSHR (0.68) | — | |
| SCHEMBL1286321 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL17867632 | 0.71 | TSHR (0.65) | — | |
| Hydrogen Sulfide SCHEMBL5722497 | 0.71 | TSHR (0.65) | — | |
| SCHEMBL9518757 | 0.71 | — | — | |
| SCHEMBL11499356 | 0.71 | TSHR (0.65) | — | |
| SCHEMBL813476 | 0.71 | TSHR (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL1071894 | 0.71 | TSHR (0.65) | — | |
| Bromide SCHEMBL5400754 | 0.71 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120178946-A1 | PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE | ARDEA BIOSCIENCES ,INC. (US) | 2012-07-12 | — | — | US | disclosed |