⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67142 | 0.78 | — | — | |
| SCHEMBL10597056 | 0.78 | HDAC8 (0.50) | — | |
| SCHEMBL6282891 | 0.78 | — | — | |
| SCHEMBL75931 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL9576929 | 0.67 | HDAC8 (0.41) | — | |
| SCHEMBL2069523 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL66792 | 0.67 | METAP2 (0.42) | — | |
| Iodobenzene SCHEMBL10481789 | 0.64 | APP (0.46) | — | |
| Water SCHEMBL9600645 | 0.64 | METAP2 (0.40) | — | |
| Water SCHEMBL9600843 | 0.64 | METAP2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011048247-A1 | METHOD FOR OBTAINING HYBRID CATALYSTS COMPOSED OF TRANSITION-METAL COMPLEXES ENCAPSULATED IN POROUS SILICA, TITANIA OR ZIRCONIA NANOPARTICLES | UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) | 2011-04-28 | — | — | WO | disclosed |