⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7263919 | 1.00 | — | — | |
| SCHEMBL7262983 | 1.00 | — | — | |
| SCHEMBL7085715 | 0.85 | — | — | |
| SCHEMBL7862980 | 0.83 | SIRT2 (0.49) | — | |
| SCHEMBL1710592 | 0.83 | — | — | |
| SCHEMBL15187187 | 0.82 | — | — | |
| SCHEMBL2110034 | 0.81 | SIRT2 (0.51) | — | |
| SCHEMBL2902851 | 0.81 | SIRT2 (0.51) | — | |
| SCHEMBL10996586 | 0.81 | SIRT2 (0.51) | — | |
| SCHEMBL2111698 | 0.81 | SIRT2 (0.51) | — |
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-6642170-B1 | Metals selected from tantalum, vanadium, niobium, chromium, molybdenum or tungsten on catalyst supports such as zeolites, oxides of silicon, aluminum, titanium, titanium, niobium or tantalum, used for etherification of alcohols-2+ | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2003-11-04 | — | — | US | disclosed |