⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19193203 | 0.67 | — | — | |
| SCHEMBL21251413 | 0.65 | — | — | |
| SCHEMBL27586179 | 0.62 | — | — | |
| SCHEMBL1053388 | 0.61 | — | — | |
| SCHEMBL1053389 | 0.61 | — | — | |
| SCHEMBL20246914 | 0.61 | — | — | |
| SCHEMBL9935300 | 0.56 | — | — | |
| SCHEMBL9936112 | 0.56 | — | — | |
| SCHEMBL1052146 | 0.55 | — | — | |
| SCHEMBL1052145 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017162390-A1 | BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2017-09-28 | — | — | WO | disclosed |