⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7127302 | 1.00 | — | — | |
| SCHEMBL132228 | 0.96 | — | — | |
| SCHEMBL2036458 | 0.96 | — | — | |
| SCHEMBL135358 | 0.96 | — | — | |
| SCHEMBL9723888 | 0.92 | — | — | |
| Carbon Monoxide SCHEMBL7015415 | 0.90 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL8666137 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL29035838 | 0.83 | ALDH1A1 (0.37) | — | |
| Bicarbonate SCHEMBL981102 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL6338221 | 0.83 | ALDH1A1 (0.37) | — |
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-20030088116-A1 | RUTHENIUM COMPLEX, PROCESS FOR PRODUCING THE SAME AND PROCESS FOR PRODUCING THIN FILM | TOSOH CORPORATION | 2003-05-08 | — | — | US | disclosed |