⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65045 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL21273723 | 0.77 | — | — | |
| SCHEMBL14249133 | 0.75 | — | — | |
| SCHEMBL8206541 | 0.71 | — | — | |
| SCHEMBL8209401 | 0.71 | — | — | |
| SCHEMBL1992039 | 0.71 | — | — | |
| SCHEMBL28378825 | 0.71 | — | — | |
| SCHEMBL432683 | 0.71 | — | — | |
| SCHEMBL1394639 | 0.71 | — | — | |
| SCHEMBL28381880 | 0.71 | — | — |
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-6126743-A | REACTING THREE DIFFERENT METAL OXIDES OR COMPOUNDS OF SPECIFIC DIAMETERS, FIRING OR HEATING THE MIXTURE AT A TEMPERATURE 400-1200 DEGREE C AT WHICH CRYSTAL PHASE CAN BE FORMED | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-10-03 | — | — | US | disclosed |