⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8447042 | 0.85 | POLB (0.38) | — | |
| SCHEMBL126477 | 0.84 | CAD (0.39) | — | |
| Methyl Alcohol SCHEMBL22551139 | 0.82 | CAD (0.38) | — | |
| SCHEMBL6551652 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL8829779 | 0.81 | POLB (0.35) | — | |
| SCHEMBL4561830 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL2145053 | 0.78 | MGAM (0.33) | — | |
| SCHEMBL7154902 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL485763 | 0.77 | KMT2A (0.36) | — | |
| SCHEMBL11380859 | 0.77 | ALDH1A1 (0.33) | — |
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-6667016-B1 | Contacting aqueous solution of ions with hybrid gel obtained by polycondensing, in solvent comprising water, at least one functionalized silicon alkoxide with metallic alkoxide, separating gel from aqueous solution | COMMISSARIAT A L'ENERGIE ATOMIQUE AND COMPAGNIE GENERALE DES MATIERES NUCLEAIRES (FR) | 2003-12-23 | — | — | US | disclosed |