⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12380423 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL12380090 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL12361919 | 0.87 | NPC1 (0.32) | — | |
| SCHEMBL12380779 | 0.87 | NPC1 (0.30) | — | |
| SCHEMBL12361827 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL12380075 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL12380141 | 0.83 | NPC1 (0.31) | — | |
| SCHEMBL12380764 | 0.82 | NPC1 (0.31) | — | |
| SCHEMBL12380147 | 0.82 | NPC1 (0.31) | — | |
| SCHEMBL12380761 | 0.82 | NPC1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8314240-B2 | Sulfonamide compounds or salts thereof | ASTELLAS PHARMA INC. (JP) | 2012-11-20 | — | — | US | disclosed |
| US-20110201616-A1 | SULFONAMIDE COMPOUNDS OR SALTS THEREOF | ASTELLAS PHARMA INC. (JP) | 2011-08-18 | — | — | US | disclosed |