⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25447127 | 0.65 | — | — | |
| SCHEMBL18814590 | 0.61 | — | — | |
| SCHEMBL13958944 | 0.59 | — | — | |
| SCHEMBL18592619 | 0.59 | — | — | |
| SCHEMBL20233814 | 0.58 | — | — | |
| SCHEMBL13620740 | 0.55 | TRPA1 (0.38) | — | |
| SCHEMBL25145402 | 0.55 | — | — | |
| SCHEMBL12976229 | 0.51 | — | — | |
| SCHEMBL12525494 | 0.51 | — | — | |
| SCHEMBL14853518 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2228364-A1 | Acylsulfonamides as inhibitors of steroid sulfatase | Novartis AG (CH) | 2010-09-15 | — | — | EP | disclosed |