⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28128573 | 0.75 | — | — | |
| SCHEMBL29855730 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL204351 | 0.65 | — | — | |
| SCHEMBL3457327 | 0.61 | — | — | |
| SCHEMBL8586609 | 0.60 | — | — | |
| SCHEMBL692915 | 0.60 | ALDH1A1 (1.00) | — | |
| SCHEMBL15351762 | 0.60 | — | — | |
| SCHEMBL9892 | 0.60 | — | — | |
| SCHEMBL1143867 | 0.60 | — | — | |
| SCHEMBL649143 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104525268-A | Organic/inorganic composite two-dimensional catalyst with triphenylphosphine-ruthenium structure and preparation method of catalyst | UNIV SHANGHAI | 2015-04-22 | — | — | CN | disclosed |