⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3573469 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL4948382 | 0.63 | — | — | |
| SCHEMBL11343016 | 0.62 | EPHX1 (0.42) | — | |
| SCHEMBL17600052 | 0.61 | — | — | |
| SCHEMBL8912403 | 0.61 | CA2 (0.50) | — | |
| SCHEMBL4660234 | 0.60 | EPHX1 (0.45) | — | |
| SCHEMBL602012 | 0.59 | — | — | |
| SCHEMBL383839 | 0.59 | — | — | |
| SCHEMBL4461436 | 0.59 | — | — | |
| SCHEMBL5158756 | 0.59 | CA1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004595-A1 | N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES | Schering-Plough Ltd. (CH) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007116314-A1 | N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES | SCHERING-PLOUGH LTD. (US) | 2007-10-18 | — | — | WO | disclosed |