⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5848227 | 0.98 | — | — | |
| SCHEMBL5848046 | 0.79 | GMNN (0.31) | — | |
| SCHEMBL4309125 | 0.79 | APP (0.41) | — | |
| SCHEMBL79932 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL2616658 | 0.77 | APP (0.39) | — | |
| SCHEMBL17882508 | 0.75 | LMNA (0.36) | — | |
| SCHEMBL14090746 | 0.75 | PTGS1 (0.36) | — | |
| SCHEMBL5026158 | 0.74 | LMNA (0.32) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL7864315 | 0.74 | PTGS1 (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL747638 | 0.74 | PTGS1 (0.43) | — |
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-7122688-B2 | Use of functionalized mesoporous silicates to esterify fatty acids and transesterify oils | IOWA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2006-10-17 | — | — | US | disclosed |
| US-20050107624-A1 | Use of functionalized mesoporous silicates to esterify fatty acids and transesterify oils | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2005-05-19 | — | — | US | disclosed |