⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21031 | 0.95 | — | — | |
| SCHEMBL27647288 | 0.90 | — | — | |
| SCHEMBL28807279 | 0.90 | — | — | |
| SCHEMBL27514945 | 0.90 | — | — | |
| Phosphine SCHEMBL27910526 | 0.90 | — | — | |
| Water SCHEMBL27396733 | 0.90 | — | — | |
| SCHEMBL13773120 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL13573065 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773133 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL106930 | 0.84 | ALDH1A1 (0.50) | — |
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-7115632-B1 | Sulfonyl aryl or heteroaryl hydroxamic acid compounds | G. D. SEARLE & CO. (US) | 2006-10-03 | — | — | US | disclosed |