⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5062781 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27460139 | 0.76 | HTT (0.38) | — | |
| SCHEMBL26542914 | 0.74 | MAPK1 (0.38) | — | |
| SCHEMBL28029818 | 0.72 | INMT (0.33) | — | |
| SCHEMBL5821438 | 0.71 | CA12 (0.37) | — | |
| SCHEMBL334557 | 0.70 | — | — | |
| SCHEMBL369526 | 0.70 | — | — | |
| SCHEMBL22518504 | 0.68 | AOC2 (0.46) | — | |
| SCHEMBL26025191 | 0.68 | CREBBP (0.41) | — | |
| SCHEMBL1255634 | 0.68 | FURIN (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7297793-B2 | Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors | G.D. SEARLE, LLC (US) | 2007-11-20 | — | — | US | disclosed |