⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13190027 | 0.84 | DRD1 (0.38) | — | |
| SCHEMBL486086 | 0.83 | GAA (0.34) | — | |
| SCHEMBL486193 | 0.81 | GAA (0.34) | — | |
| SCHEMBL486116 | 0.75 | FFAR1 (0.31) | — | |
| SCHEMBL486238 | 0.71 | — | — | |
| SCHEMBL12869813 | 0.70 | DRD1 (0.39) | — | |
| SCHEMBL12869815 | 0.68 | DRD1 (0.38) | — | |
| SCHEMBL21720714 | 0.68 | — | — | |
| SCHEMBL12869810 | 0.67 | DRD1 (0.41) | — | |
| SCHEMBL12869811 | 0.65 | DRD1 (0.40) | — |
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-2010111418-A2 | PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES | ELAN PHARMACEUTICALS, INC. (US) | 2010-09-30 | — | — | WO | disclosed |